Last update: Sat Aug 26 02:01:44 MDT 2023
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P
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P, 41(14)1330--1336, 43(2)132--143, 44(3)268--277
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p, 43(15)1011--1022
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p-phenylenediamine, 43(19)1313--1319
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P-surface, 44(9)954--961
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Pachter, Ruth, 44(10)1064--1072
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Pachter, Ruth, see Kramer, Aaron
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package, 41(9)958--970, 41(20)1859--1867, 42(13)944--950,
42(22)1602--1626, 42(24)1755--1766, 43(2)144--154, 44(3)381--396,
44(4)602--625, 44(9)980--987, 44(17)1536--1549, 44(22)1836--1844
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packet, 41(29)2527--2537
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Paddlewheel, 41(4)340--348
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Páez, Marcos, Casanova-, 42(8)528--533
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Páez-Hernández, Dayán, 41(22)1956--1964,
see Hidalgo-Rosa, Yoan
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Paez:2021:GDH, Casanova-, 41(13)1242--1251
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Page, Alister J., 42(4)222--230
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Page, Alister J., see Waite, Simone L.
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Pagliai, Marco, 44(12)1221--1230
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Pagliai, Marco, see Macchiagodena, Marina
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Pagola, G. I., 44(17)1578--1586
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Pagola, Gabriel I., 42(25)1772--1782
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Pagola:2021:PAG, 42(25)1772--1782
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Pagola:2023:ACL, 44(17)1578--1586
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Painter, Scott L., 41(2)147--155
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Painter, Scott L., see Lian, Peng
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pair, 41(8)800--813, 41(12)1194--1199, 41(14)1402--1410,
42(27)1959--1973, 43(22)1474--1483, 43(26)1783--1792
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Pair, Ion-, 41(4)317--327
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pair, spin-, 41(5)415--420
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pairwise, 41(3)247--257
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Paiva, Pedro, 41(29)2459--2468
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Paiva:2020:AVD, 41(29)2459--2468
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Pakdel, Majid, 41(16)1486--1496
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Pakdel:2020:ESA, 41(16)1486--1496
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Pal, Asit, 42(28)1996--2003
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Pal, Ranita, 44(3)278--297
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Pal, Sougata, 42(27)1982--1990
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Pal, Sougata, see Kar, Moumita
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Pal, Subhendu, 42(28)1996--2003
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Pal, Subhendu, see Pal, Asit
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Pal, Tanmoy, 44(3)256--260
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Pal, Tanmoy, see Perumalla, D. Sravanakumar
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Pal:2021:MFB, 42(28)1996--2003
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Pal:2023:EIR, 44(3)278--297
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Paliwal, Kuldip, 41(8)745--750
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Paliwal, Kuldip, see Cai, Yufeng
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Palmeiro, Raúl, 42(16)1150--1158
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Palmeiro:2021:EM, 42(16)1150--1158
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Palmisano, Vito F., 44(4)516--533
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Palmisano, Vito F., see Cárdenas, Gustavo
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Palyulin, Vladimir A., 44(13)1312--1315
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Palyulin, Vladimir A., see Shaimardanov, Arslan R.
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Pan, Cong, 41(10)1034--1044, 44(8)902--911
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Pan, Sudip, 44(3)397--405
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Pan, Sudip, see Thomas-Hargreaves, Lewis R.
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Pan:2020:TSF, 41(10)1034--1044
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Pan:2023:FNS, 44(8)902--911
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Pandey, Anwesh, 44(3)432--441
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Pandey, Anwesh, see Kumar, Yenamareddy Bhargav
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Pandya, Himanshu A., 43(12)847--863
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Pandya, Himanshu A., see Kumar, Sivakumar Prasanth
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Pañeda, Rubén, Meana-, 42(19)1373--1383
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Pang, Jianmin, 41(7)731--738
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Pang, Jianmin, see Hou, Chaofeng
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Panin, Andrej I., 42(4)242--247
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Panin, Andrej I., see Evarestov, Robert A.
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Pant, Shashank, 41(6)489--499
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Pant:2020:MCG, 41(6)489--499
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Pantazis, Dimitrios A., 41(20)1842--1849
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Pantazis, Dimitrios A., see Rolfes, Julian D.
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Panthi, Bhavana, 44(17)1560--1577
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Panthi:2023:AAS, 44(17)1560--1577
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Panzer, Matthew J., 42(23)1689--1703
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Panzer, Matthew J., see Lourenço, Tuanan C.
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Paoloni, Lorenzo, 41(13)1310--1323
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Paoloni, Lorenzo, see Martino, Marta
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Papa, Ester, 42(20)1452--1460
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Papa, Ester, see Chirico, Nicola
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paper, 44(3)381--396
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para-substituted, 42(16)1106--1117
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parallel, 41(32)2707--2721, 42(4)231--241, 42(8)534--544, 43(1)74--78,
43(2)144--154, 43(17)1186--1200, 44(4)602--625, 44(16)1505--1516,
44(20)1740--1749
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parallelization, 41(19)1759--1772, 41(27)2316--2335, 43(25)1680--1689
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parallelized, 42(15)1073--1087
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Parambath, Sneha, 44(18)1645--1652
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Parambath:2023:DQB, 44(18)1645--1652
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Parameswaran, Pattiyil, 42(16)1159--1177, 42(16)z--z--z, 44(3)422--431,
44(18)1645--1652
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Parameswaran, Pattiyil, see Gorantla, Sai Manoj N. V. T.,
see Muhasina, Puthan Veetil,
see Parambath, Sneha
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parameter, 41(16)1564--1569, 42(17)1236--1242, 42(24)1720--1727,
43(1)43--56, 43(3)160--169, 43(4)230--243, 43(11)746--756,
43(27)1830--1838
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parameter, PDB-to-, 43(13)930--935
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parameterization, 44(11)1094--1104
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Parameterizing, 42(23)1643--1661
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parametric, multi-, 43(10)692--703
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parametrization, 41(9)958--970, 43(9)644--653
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Park, Chiyoung, 41(13)1261--1270
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Park, Chiyoung, see Ahn, Dae-Hwan
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Park, Hahnbeom, 44(14)1360--1368
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Park, Hahnbeom, see Lee, Seho
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Park, Sang-Jun, 43(5)359--375
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Park, Sang-Jun, see Kognole, Abhishek A.
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Parkman, Jacob A., 42(28)2031--2035
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Parkman:2021:CNP, 42(28)2031--2035
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Parks, Jerry M., 41(2)147--155, 41(6)528--537
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Parks, Jerry M., see Hwang, Hyea,
see Lian, Peng
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Parravicini, Oscar, 41(21)1898--1911
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Parravicini, Oscar, see Tosso, Rodrigo D.
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Parreira, Renato L. T., 43(4)230--243, 44(10)1040--1051
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Parreira, Renato L. T., see Felix, João P. C. S.,
see Piotrowski, Maurício J.
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Parrinello, Michele, 41(4)290--294
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Parrinello, Michele, see Ponte, Fortuna
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part, 42(32)2321--2333, 43(1)6--18, 44(3)319--328
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partial, 43(12)864--869
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partially, 44(3)381--396
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particle, many-, 42(14)982--1005
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particle-field, 42(1)6--18
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particles, 44(16)1470--1483
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particularly, 44(3)381--396
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partition, 41(13)1234--1241, 41(14)1353--1367, 43(7)457--464,
43(8)539--555, 44(13)1300--1311
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Parves, Md. Rimon, 42(32)2283--2293
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Parves, Md. Rimon, see Efaz, Faiyaz Md.
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Parzen, 43(21)1434--1441
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Pascale, Fabien, 42(12)806--817, 42(20)1390--1401, 43(3)184--196,
44(2)65--75
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Pascale, Fabien, see Casier, Bastien,
see Platonenko, Alexander
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Pascale:2022:SOS, 43(3)184--196
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Pascale:2023:HDC, 44(2)65--75
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Patel, Chirag N., 43(12)847--863
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Patel, Chirag N., see Kumar, Sivakumar Prasanth
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Patel, Neha, 41(31)2624--2633
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Patel, Prajay, 41(3)171--183, 41(8)800--813
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Patel:2020:DBL, 41(8)800--813
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Patel:2020:DCI, 41(31)2624--2633
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Patel:2020:PPL, 41(3)171--183
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Paterson, Martin J., 43(3)206--214
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Paterson, Martin J., see Li, Zi
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path, 41(1)56--68, 42(1)27--39, 42(6)435--446, 42(11)761--770,
43(24)1662--1674, 43(27)1864--1879, 44(23)1884--1897,
44(26)2042--2057
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Pathak, Biswarup, 42(27)1944--1958
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Pathak, Biswarup, see Nair, Akhil S.
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Pathak, Prateek, 44(10)1016--1030
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Pathak, Prateek, see Novak, Jurica
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Pathak, Yashaswi, 41(8)790--799
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Pathak, Yashaswi, see Laghuvarapu, Siddhartha
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pathway, 41(12)1156--1164, 41(17)1586--1597, 41(24)2115--2123,
41(32)2684--2694, 43(18)1237--1250, 44(3)346--354
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Patkowski, Konrad, 41(23)2066--2083
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Patkowski, Konrad, see Waldrop, Jonathan M.
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Patouossa, Issofa, 42(2)72--80
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Patouossa, Issofa, see Muya, Jules Tshishimbi
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pattern, 43(7)477--490, 44(4)594--601
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Pattni, Viren, 44(13)1263--1277
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Pattni, Viren, see Lazaric, Aleksandar
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Paul, Alexander Christian, 42(20)1419--1429
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Paul, Alexander Christian, see Hutcheson, Anders
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Paulechka, Eugene, 43(12)879--887
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Paulechka, Eugene, see Riccardi, Demian
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Pauling, Jessica, 43(20)1355--1361
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Pauling, Jessica, see Mifkovic, Maleigh
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Paulus, Beate, 41(8)751--758, 42(21)1475--1485, 44(25)1986--1997
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Paulus, Beate, see Anders, Jennifer,
see Bader, Frederik, \see{Shao, Jingjing
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Pauporté, Thierry, 41(19)1740--1747, see Su, Jun
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Páv, Ondrej, 43(2)132--143, see Fukal, Jirí
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Pavone, Michele, 41(22)1946--1955
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Pavone, Michele, see Pecoraro, Adriana
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Pawar, Aiswarya B., 43(18)1237--1250
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Pawar, Aiswarya B., see Pramanik, Debabrata
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Pawar, Ravinder, 43(22)1474--1483, 44(18)1624--1633, 44(21)1786--1794
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Pawar, Ravinder, see Faizan, Mohmmad,
see Pooja
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Pawlis, Sonja, Herres-, 44(3)319--328
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Pb, 43(12)828--838
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PbI, 42(31)2213--2220
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PBSA, 44(14)1334--1346
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PBSA, MM-, 44(13)1300--1311
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PCM, XP-, 43(17)1176--1185
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Pd, 44(18)1645--1652
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Pd-PEPPSI, 41(26)2296--2309
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Pd0, 41(26)2296--2309
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PDB-to-parameter, 43(13)930--935
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PdBe, 42(16)1126--1137
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PdII, 41(26)2296--2309
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PEACH--BAR, 42(31)2221--2232
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Pech, Cecilia Gomez, 41(23)2055--2065
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Pech:2020:QCT, 41(23)2055--2065
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Pecher, Lisa, 42(12)827--839
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Pecher, Lisa, see Luy, Jan-Niclas
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Pechlaner, Maria, 42(6)418--434, 42(18)1263--1282
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Pechlaner:2021:MAB, 42(6)418--434
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Pechlaner:2021:UMT, 42(18)1263--1282
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Pecoraro, Adriana, 41(22)1946--1955
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Pecoraro:2020:SEP, 41(22)1946--1955
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Pedebos, Conrado, 42(22)1540--1551
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Pedebos, Conrado, see Pinto, Éderson Sales Moreira
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Pehere, Ashok D., 41(31)2634--2640
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Pehere, Ashok D., see Muthusivarajan, Rajarajeswari
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Pei, Gerui, 43(12)828--838
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Pei, Gerui, see Liu, Dong
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Peijnenburg, Willie J. G. M., 43(15)1042--1052
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Peijnenburg, Willie J. G. M., see Wassenaar, Pim N. H.
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Peláez, Daniel, 42(14)1018--1027, 42(28)2036--2048,
see Geindre, Hugo,
see Martínez-Núñez, Emilio
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Pélagie, Manwal A. Mekoung, 43(14)972--985,
see Maraf, Mbah Bake
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Pelloni, Stefano, 42(25)1772--1782
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Pelloni, Stefano, see Pagola, Gabriel I.
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Pendás, Ángel Martín, 41(13)1234--1241, 41(26)2266--2277,
42(10)676--687, 43(11)785--795,
see Casals-Sainz, José Luis,
see Castor-Villegas, Víctor Manuel,
see Gallegos, Miguel,
see Jiménez-Grávalos, Fernando
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Peng, Cheng, 41(19)1773--1780
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Peng, Fangwen, 44(13)1316--1328
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Peng, Fangwen, see Xie, Zhaoxuan
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Peng, Junhui, 41(10)1034--1044
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Peng, Junhui, see Pan, Cong
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Peng, Lichao, 43(4)289--302
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Peng, Lichao, see Dong, Jing
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Peng, Yuting, 44(21)1776--1785
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Peng, Yuting, see Lu, Hui
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Peng:2020:APR, 41(19)1773--1780
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penicillin, 41(18)1685--1697
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pentacoordinate, 43(25)1725--1746
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pentahalides, 42(25)1792--1802
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Pep, 42(8)572--580
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PepPro, 41(4)362--369
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PEPPSI, Pd-, 41(26)2296--2309
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peptidase, DD-, 41(18)1685--1697
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peptide, 41(25)2177--2188, 42(8)572--580, 42(32)2283--2293,
44(8)887--901
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peptide, T-, 43(14)942--952
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peptide-based, 44(22)1836--1844
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Peptide-Protein, 41(4)362--369
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per, 43(25)1680--1689, 44(4)570--580
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Per, Manolo C., 41(27)2378--2382
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Per:2020:RRS, 41(27)2378--2382
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Perahia, David, 42(20)1430--1446
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Perahia, David, see Gresh, Nohad
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Pérez-Barcia, Álvaro, 44(4)516--533,
see Cárdenas, Gustavo
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Pérez-Jiménez, Ángel José, 42(14)970--981,
42(14)z--z--z, see Brémond, Éric
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perfluorinated, 44(3)138--148
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perfluoroalkyl, 43(24)1656--1661
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perform, 44(3)381--396, 44(17)1536--1549
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performance, 41(4)295--304, 41(11)1124--1129, 41(15)1448--1455,
41(16)1564--1569, 42(3)192--204, 42(10)688--698, 43(9)588--597,
43(25)1680--1689, 43(27)1830--1838, 44(4)559--569,
44(24)1941--1955
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performance, High-, 41(24)2104--2114
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performed, 42(16)1118--1125
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performing, 41(3)266--271, 44(4)534--545
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period, 42(15)1064--1072, 43(12)839--846
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periodic, 41(9)940--948, 41(15)1427--1435, 41(19)1740--1747,
42(19)1373--1383, 42(32)2352--2368, 44(9)980--987
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permeability, 41(5)421--426
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permutation, 44(4)534--545
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Permutationally, 43(22)1495--1503
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perovskite, 41(19)1740--1747, 42(27)1982--1990, 42(31)2213--2220,
44(14)1395--1403, 44(19)1690--1703, 44(23)1875--1883
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peroxide, 42(19)1344--1353, 44(13)1278--1290, 44(24)1917--1927,
44(26)2058--2072
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peroxy, 44(24)1917--1927
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Perrella, Fulvio, 41(20)1835--1841, 41(26)2228--2239, 41(26)z
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Perrella, Fulvio, see Raucci, Umberto
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Perron, Quentin, 43(10)692--703
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Perron:2022:DGM, 43(10)692--703
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Persico, Maurizio, 41(23)2033--2044
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Persico, Maurizio, see Fregoni, Jacopo
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persistent, 42(9)600--607
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perspective, 41(4)290--294, 41(29)2527--2537, 42(21)1466--1474,
43(8)519--538, 43(8)568--576, 43(8)577--582, 43(13)917--922,
43(15)1000--1010, 44(22)1817--1835
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persulfate, 43(19)1313--1319
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perturbation, 41(3)247--257, 41(7)611--618, 41(10)1012--1017,
41(12)1165--1174, 41(16)1521--1537, 41(17)1598--1605,
41(17)1628--1637, 42(7)516--521, 42(9)620--629, 42(32)2352--2368
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perturbed, 44(2)65--75
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Peruchena, Nélida, 41(21)1898--1911,
see Tosso, Rodrigo D.
-
Perumalla, D. Sravanakumar, 44(3)256--260
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Perumalla:2023:RDM, 44(3)256--260
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Peters, Andrew J., 44(16)1484--1492
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Peters, Andrew J., see Nourian, Pouria
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Peterson, Kirk A., 44(5)687--696
-
Peterson, Kirk A., see Minenkov, Yury
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Petit, Tristan, 43(13)923--929
-
Petit, Tristan, see Kirschbaum, Thorren
-
Petosa, Carlo, 43(32)2121--2130
-
Petosa, Carlo, see Zhou, Yingsheng
-
Petrenko, Taras, 43(1)6--18
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Petrenko, Taras, see Mathea, Tina
-
Petrone, Alessio, 41(26)2228--2239, 41(26)z
-
Petrone, Alessio, see Raucci, Umberto
-
Petrov, Drazen, 41(10)986--999
-
Petrov, Drazen, see Öhlknecht, Christoph
-
Petrov, Vladimir, 42(13)944--950
-
Petrov, Vladimir, see Andreadi, Nikolai
-
Petrovi{\'c}, Biljana, 43(17)1161--1175,
see {\'C}o'ci{\'c}, Dusan
-
Petrus, Enric, 41(11)1124--1129
-
Petrus:2020:PGA, 41(11)1124--1129
-
PFAS, 43(20)1355--1361
-
Pfizer, 43(15)1053--1062
-
Pflüger, Fernando, 41(14)1402--1410,
see Hernández, Belén
-
PH, 41(6)489--499
-
pH, 41(16)1509--1520
-
Pham, Minh Quan, 43(3)160--169
-
Pham, Minh Quan, see Pham, T. Ngoc Han
-
Pham, Nhat Truong, 43(3)160--169
-
Pham, Nhat Truong, see Pham, T. Ngoc Han
-
Pham, T. Ngoc Han, 43(3)160--169
-
Pham:2022:ILR, 43(3)160--169
-
Phanus-umporn, Chuleeporn, 41(20)1820--1834
-
Phanus-umporn, Chuleeporn, see Malik, Aijaz Ahmad
-
pharma, 44(3)406--421
-
pharmacophore, 43(12)847--863
-
pharmacophore-based, 42(30)2181--2195
-
PharmRF, 43(12)847--863
-
phase, 41(1)43--55, 41(10)1018--1025, 41(22)1965--1972,
41(29)2504--2526, 41(31)2610--2623, 43(10)704--716
-
phase, Gas-, 44(22)1807--1816
-
phase, gas-, 42(16)1106--1117, 42(20)1447--1451, 43(1)19--28,
43(21)1434--1441
-
phase-specific, 42(13)930--943
-
Phasepy, 41(29)2504--2526
-
PhD, Chirag N. Patel, 42(26)1861--1872
-
PhD, Chirag N. Patel, see PhD, Surjeet Verma
-
PhD, Muktesh Chandra, 42(26)1861--1872
-
PhD, Muktesh Chandra, see PhD, Surjeet Verma
-
PhD, Pavel V. Stishenko, 41(23)2084--2097
-
PhD, Pavel V. Stishenko, see PhD, Sergey S. Akimenko
-
PhD, Sergey S. Akimenko, 41(23)2084--2097
-
PhD, Surjeet Verma, 42(26)1861--1872
-
PhD, Vasiliy F. Fefelov, 41(23)2084--2097
-
PhD, Vasiliy F. Fefelov, see PhD, Sergey S. Akimenko
-
PhD, Vitaliy A. Gorbunov, 41(23)2084--2097
-
PhD, Vitaliy A. Gorbunov, see PhD, Sergey S. Akimenko
-
PhD:2020:SSS, 41(23)2084--2097
-
PhD:2021:INI, 42(26)1861--1872
-
phenanthroline, 43(11)804--821
-
phenomenological, 41(24)2115--2123
-
phenyl, 41(16)1497--1508, 44(3)397--405
-
phenylacetohydroxamic, 43(31)2060--2071
-
phenylenediamine, p-, 43(19)1313--1319
-
phenylenediamine, polyx-, 43(30)2001--2008
-
pheophytin, 42(26)1905--1913
-
pHLIP, 42(25)1809--1816
-
Phonons, 41(8)759--768
-
phosphate, 41(8)839--854, 43(11)804--821, 44(6)766--776
-
phosphoborane, 41(15)1456--1463
-
phosphocholine, 42(31)2221--2232
-
phosphodiester, 42(20)1430--1446
-
phosphoglucose, 41(8)839--854
-
phosphorus, 41(14)1395--1401, 42(18)1283--1295
-
phosphorus-based, 43(26)1783--1792
-
photo-switchable, 41(27)2336--2351
-
photoacidity, 44(24)1941--1955
-
Photocatalytic, 41(21)1921--1930
-
photochemical, 41(12)1156--1164
-
Photochemistry, 41(23)2033--2044
-
photodynamic, 41(14)1395--1401, 42(25)1803--1808, 43(30)2037--2042
-
photoionization, 42(32)2294--2305
-
Photoisomerization, 41(7)635--645
-
photooxidation, 42(24)1710--1719
-
Photophysical, 42(25)1803--1808
-
photoproperties, 44(27)2130--2148
-
Photoprotein, 41(6)587--603
-
photoresponsive, 43(19)1276--1285
-
photosensitizers, 41(14)1395--1401, 42(25)1803--1808
-
photosensitizing, 41(26)2278--2295
-
photoswitches, 42(20)1419--1429
-
photovoltaic, 42(27)1982--1990
-
phthalocyanines, 42(25)1803--1808
-
physical, 42(25)1772--1782, 42(28)2004--2013, 43(18)1206--1220,
43(24)1621--1632, 44(10)1052--1063, 44(27)2130--2148
-
physico-chemical, 42(20)1452--1460
-
physicochemical, 43(11)778--784
-
physisorption, 43(21)1403--1419
-
PI, 43(14)961--971
-
Piccini, GiovanniMaria, 41(4)290--294
-
Piccini, GiovanniMaria, see Ponte, Fortuna
-
picture, 42(10)676--687, 43(11)785--795
-
Picture-word, 43(4)255--264
-
Pietro, William J., 42(17)1236--1242
-
Pietro, William J., see Kiani, Pirouz
-
Pilmé, Julien, 41(17)1616--1627, 41(23)2055--2065, 42(12)840--854,
44(16)1505--1516, see Chevreau, Hilaire,
see Klein, Johanna,
see Pech, Cecilia Gomez
-
Pilme:2020:QCT, 41(17)1616--1627
-
pincer, 41(26)2240--2250
-
pincer-nickel, 42(24)1728--1735
-
Pino-Rios, Ricardo, 42(2)124--129
-
Pino-Rios, Ricardo, see Arrué, Lily
-
Pinto, Éderson Sales Moreira, 42(22)1540--1551, 44(18)1610--1623,
see Feltes, Bruno César
-
Pinto:2021:MCP, 42(22)1540--1551
-
Piotrowski, Maurício J., 43(4)230--243, 44(10)1040--1051,
44(14)1395--1403, see Araujo, Luis Octavio de,
see Felix, João P. C. S.
-
Piotrowski:2022:AVW, 43(4)230--243
-
Piotto, Stefano, 44(25)2030--2036
-
Piotto, Stefano, see Sarkar, Arkadeep
-
Piquemal, Jean-Philip, 41(8)839--854
-
Piquemal, Jean-Philip, see Devillers, Marion
-
pistol, 41(14)1345--1352
-
Pittman, Amanda R., 43(2)84--95
-
Pittman, Amanda R., see Vankayala, Sai L.
-
Pivina, Tatyana S., 43(11)778--784
-
Pivina, Tatyana S., see Khakimov, Dmitry V.
-
pK, 41(3)171--183
-
\pkgARGOS, 42(26)1832--1860
-
\pkgAutoDock, 43(3)160--169
-
\pkgBinderSpace, 44(22)1836--1844
-
\pkgCHAMPION, 42(23)1632--1642
-
\pkg{CHARMM}-based, 43(2)84--95
-
\pkgCHARMM-GUI, 43(5)359--375
-
\pkgchemcoord, 44(5)710--726
-
\pkgCIFDock, 43(2)84--95
-
\pkgClassicalGSG, 42(14)1006--1017
-
\pkgEPISOL, 44(17)1536--1549
-
\pkgFanpy, 44(5)697--709
-
\pkgFCclasses3, 44(4)626--643
-
\pkgFRAGMENTISE, 44(26)2096--2102
-
\pkgFSATOOL, 43(3)215--224, 44(22)1845--1856
-
\pkgGalaxyDock2-HEME, 44(14)1369--1380
-
\pkgGAMaterial, 44(7)814--823
-
\pkgGoGreenGo, 42(32)2352--2368
-
\pkgGUIDE, 44(25)2030--2036
-
\pkgIGMPlot, 44(20)1750--1766
-
\pkgKylin, 44(13)1316--1328
-
\pkgLibkrylov, 44(11)1105--1118
-
\pkgLSLOpt, 42(15)1095--1100
-
\pkgMLLPA, 42(13)930--943
-
\pkgMolSpin, 44(19)1704--1714
-
\pkgMonteCarbo, 42(21)1526--1534
-
\pkgNIAS-Server, 44(18)1610--1623
-
\pkgParaCopasi, 43(2)144--154
-
\pkgppdx, 43(25)1747--1757
-
\pkgprepareforleap, 43(13)930--935
-
\pkgPyFREC, 43(19)1320--1328
-
\pkgPyRad, 42(13)944--950
-
\pkgPySCF, 44(9)980--987
-
\pkgQball, 42(13)944--950
-
\pkgQSARINS-Chem, 42(20)1452--1460
-
\pkgUNRES, 44(4)602--625
-
\pkg{XGBoost}-based, 43(4)289--302
-
places, 43(25)1680--1689
-
planar, 43(13)894--905, 44(3)240--247
-
planarization, 43(2)96--105
-
Planck, Poisson-Nernst-, 42(27)1929--1943
-
plane, 41(19)1790--1797
-
planewave, 41(3)184--193
-
plasma, 43(20)1334--1341
-
Plasticity, 41(4)340--348
-
platform, 42(29)2116--2129, 44(6)788--800
-
platform, cross-, 44(26)2096--2102
-
platform-independent, 42(20)1452--1460
-
Plathe, Florian, Müller-, 42(1)6--18
-
platinum, 41(22)1973--1984, 42(27)1944--1958
-
Platonenko, Alexander, 41(17)1638--1644, 42(12)806--817
-
Platonenko, Alexander, see Gentile, Francesco S.
-
Platonenko:2021:ICD, 42(12)806--817
-
play, 42(25)1809--1816, 44(9)962--968
-
Plekhanov, Evgeny, 42(21)1498--1513
-
Plekhanov, Evgeny, see Tchougréeff, Andrei
-
Plesset, M{\o}ller-, 42(9)620--629
-
Plesset, M\oller-, 41(10)1012--1017, 41(13)1234--1241
-
plugin, 41(19)1781--1789
-
Poater, Jordi, 41(4)317--327, 44(4)495--505
-
Poater, Jordi, see Savoo, Nandini,
see Sun, Xiaobo
-
pockets, 43(13)906--916
-
point, 42(24)1720--1727, 42(32)2352--2368, 43(27)1830--1838,
44(21)1786--1794, 44(21)1795--1801
-
Point, End-, 41(6)573--586
-
point, end-, 44(4)559--569
-
point, focal-, 41(8)769--779
-
Poisson--Boltzmann, 41(3)218--230, 42(12)855--869, 42(22)1552--1560,
42(26)1832--1860, 43(10)674--691
-
Poisson--Nernst--Planck, 42(27)1929--1943
-
polarity, high-, 44(24)1928--1940
-
polarizability, 43(22)1495--1503, 44(6)745--754
-
polarizable, 41(5)439--448, 41(5)472--481, 41(7)619--628, 41(9)958--970,
41(26)2251--2265, 42(2)86--106, 42(20)1430--1446, 43(5)359--375,
43(19)1286--1297, 43(23)1530--1542, 43(32)2139--2153
-
polarization, 41(30)2591--2597, 42(15)1064--1072, 42(16)1118--1125,
43(12)839--846, 43(16)1094--1103, 44(5)677--686
-
polarization, correlation-, 41(17)1576--1585
-
polarized, 43(25)1680--1689, 44(2)65--75
-
polarized, spin-, 44(27)2120--2129
-
Polcar, Tomas, 44(11)1138--1147
-
Polcar, Tomas, see Koliogiorgos, Athanasios
-
Polcar, Tomás, 42(31)2241--2249,
see López-Carballeira, Diego
-
Polêto, Marcelo D., 43(16)1113--1119
-
Poleto:2022:TEF, 43(16)1113--1119
-
Pollard, Benjamin C., 43(2)84--95
-
Pollard, Benjamin C., see Vankayala, Sai L.
-
Poltype, 43(23)1530--1542
-
poly, 43(1)57--73
-
polyacethylene, 43(25)1701--1718
-
polyalcohol, 42(3)156--165
-
polyatomic, 41(17)1576--1585
-
polyazaheterocycle, 43(14)972--985
-
polycyclic, 42(14)1018--1027
-
polydiacetylene, 44(8)927--934
-
polyenes, 44(6)777--787
-
polyethyleneimine, 41(4)349--361, 42(4)261--263, 43(31)2072--2083
-
polyethylenimine, 40(3)607--618, 41(18)1730--1734
-
polyfluoroalkyl, 44(4)570--580
-
polymer, 41(15)1464--1479, 41(25)2203--2212, 42(1)6--18,
43(30)2001--2008
-
polymeric, 42(23)1632--1642
-
polymerization, 41(10)1026--1033, 41(25)2197--2202, 43(19)1313--1319,
44(4)506--515
-
polymorphism, 44(9)969--979, 44(10)1052--1063
-
polymorphs, 42(10)699--705
-
polynomial, 43(22)1495--1503
-
polyolefin, 42(24)1710--1719
-
polypeptoids, 43(18)1229--1236
-
polysulfides, 43(32)2131--2138
-
polyx-phenylenediamine, 43(30)2001--2008
-
Pomogaeva, Anna V., 42(25)1792--1802, 44(3)218--228
-
Pomogaeva:2021:ISL, 42(25)1792--1802
-
Pomogaeva:2023:LAS, 44(3)218--228
-
Ponce, Yovani, Marrero-, 41(3)203--217, 41(12)1209--1227
-
Ponte, Fortuna, 41(4)290--294
-
Ponte:2020:MPR, 41(4)290--294
-
Pooja, 44(21)1786--1794
-
Pooja:2023:OSS, 44(21)1786--1794
-
Poomani, Kumaradhas, 41(2)97--109
-
Poomani, Kumaradhas, see Chinnasamy, Kalaiarasi
-
Popelier, Paul L. A., 41(7)619--628, 42(2)107--116, 43(31)2084--2098
-
Popelier, Paul L. A., see Burn, Matthew J.,
see Hughes, Zak E., \see{Konovalov, Anton
-
Popescu, Andrada-Elena, Terteci-, 43(31)2072--2083
-
Popov, Ilya V., 42(32)2352--2368
-
Popov:2021:LPP, 42(32)2352--2368
-
popular, 44(3)381--396
-
population, 43(1)43--56
-
porE, 42(9)630--643
-
porosities, 42(9)630--643
-
porous, 41(9)949--957, 41(31)2653--2662
-
porphyrin, 42(27)1920--1928
-
porphyrinic, 44(3)229--239
-
Portably, 41(32)2707--2721
-
Porwal, Vishal Kumar, 44(23)1898--1911
-
Porwal:2023:HEV, 44(23)1898--1911
-
Poses, 41(1)56--68
-
position, 42(11)761--770
-
position-dependent, 42(30)2136--2144
-
positron, 41(17)1576--1585
-
Positron--electron, 41(17)1576--1585
-
possibilities, 44(3)355--366
-
possible, 41(14)1395--1401, 42(13)897--907, 42(25)1803--1808,
44(3)381--396, 44(24)1917--1927
-
posteriori, 44(2)105--116, 44(27)2158--2159
-
Potemkin, Vladimir A., 44(10)1016--1030
-
Potemkin, Vladimir A., see Novak, Jurica
-
potent, 42(32)2306--2320, 43(32)2121--2130
-
potential, 41(13)1299--1309, 41(15)1427--1435, 41(16)1497--1508,
41(17)1576--1585, 41(21)1874--1884, 41(22)1985--2000,
41(27)2336--2351, 42(2)86--106, 42(3)156--165, 42(3)192--204,
42(6)398--411, 42(10)666--675, 42(11)771--786, 42(20)1419--1429,
42(20)1430--1446, 42(23)1681--1688, 42(24)1736--1749,
43(4)244--254, 43(5)308--318, 43(7)491--498, 43(14)953--960,
43(15)1042--1052, 43(16)1079--1093, 43(18)1237--1250,
43(22)1504--1512, 43(25)1680--1689, 43(27)1839--1847,
44(3)319--328, 44(4)506--515, 44(4)559--569, 44(7)806--813,
44(12)1189--1198, 44(17)1550--1559, 44(21)1771--1775,
44(22)1817--1835
-
potential, transition-, 41(19)1781--1789
-
potential-energy, 41(13)1310--1323
-
Poutsma, Jennifer, 42(9)600--607
-
Poutsma, Jennifer, see Bedford, John T.
-
Poyil, Anurag, Noonikara-, 43(11)796--803
-
Prado, Richard Costa, 42(5)344--357
-
Prado, Richard Costa, see Mendanha, Karinna
-
Pramanik, Debabrata, 43(18)1237--1250
-
Pramanik:2022:MIK, 43(18)1237--1250
-
Pramudya, Yohanes, 44(14)1395--1403
-
Pramudya, Yohanes, see Araujo, Luis Octavio de
-
Pranowo, Harno Dwi, 41(25)2168--2176
-
Pranowo, Harno Dwi, see Saputri, Wahyu Dita
-
Prasad, Samarjeet, 42(19)1373--1383
-
Prasad:2021:EES, 42(19)1373--1383
-
Prasanna, Krishnamohan G., 42(29)2116--2129
-
Prasanna:2021:DOS, 42(29)2116--2129
-
Prasher, Ravi S., 41(24)2137--2150
-
Prasher, Ravi S., see Spotte-Smith, Evan Walter Clark
-
precatalyst, 41(26)2296--2309
-
precision, 43(4)244--254
-
precision, mixed-, 43(25)1680--1689
-
preconditioning, 42(11)761--770
-
precursor, 43(23)1543--1560, 44(15)1437--1445
-
predefined, 43(6)391--401
-
predict, 43(3)170--183
-
predictability, 43(10)728--739
-
predicted, 41(8)745--750, 43(10)704--716
-
predicting, 41(11)1124--1129, 41(13)1261--1270, 41(20)1820--1834,
41(24)2124--2136, 42(7)470--474, 42(7)516--521, 43(4)255--264,
43(20)1355--1361, 43(26)1771--1782
-
prediction, 41(3)171--183, 41(3)247--257, 41(3)258--265, 41(6)587--603,
41(8)745--750, 41(8)790--799, 41(11)1064--1067, 41(15)1436--1447,
41(16)1521--1537, 41(19)1773--1780, 41(26)2251--2265,
41(26)2296--2309, 41(27)2352--2364, 42(1)50--59, 42(4)248--260,
42(7)484--491, 42(14)1006--1017, 42(18)1248--1262,
42(21)1486--1497, 43(4)244--254, 43(4)289--302, 43(11)778--784,
43(15)1011--1022, 43(20)1362--1371, 43(28)1892--1900, 44(2)76--92,
44(3)199--208, 44(13)1291--1299, 44(13)1300--1311,
44(14)1334--1346
-
predictive, 41(11)1081--1090
-
prefer, 41(13)1261--1270
-
preference, 42(22)1540--1551, 43(24)1614--1620
-
preliminary, 42(20)1430--1446, 43(22)1513--1523
-
Prentis, Lauren E., 43(29)1942--1963
-
Prentis:2022:MEA, 43(29)1942--1963
-
preparation, 41(5)415--420, 42(28)2031--2035
-
prepare, 44(24)1917--1927
-
prepper, 43(5)359--375
-
present, 43(25)1680--1689, 44(3)381--396
-
pressure, 41(7)646--652, 42(10)699--705, 43(6)431--434
-
Pressure-assisted, 44(6)766--776
-
pressure-induced, 41(14)1337--1344, 41(31)2610--2623
-
Pribram-Jones, Aurora, 43(6)382--390
-
Pribram-Jones, Aurora, see Corzo, Hector H.
-
primary, 43(6)421--430
-
principle, 42(4)242--247, 42(5)293--302, 44(3)432--441,
44(25)1986--1997
-
Principles, First-, 41(8)759--768
-
principles, First-, 42(24)1710--1719
-
principles, first-, 41(14)1337--1344, 44(1)15--26
-
principles-based, 42(16)1138--1149
-
Priyadarsini, Adyasa, 42(16)1138--1149
-
Priyadarsini:2021:CFP, 42(16)1138--1149
-
Priyakumar, U. Deva, 41(8)790--799, 43(5)308--318
-
Priyakumar, U. Deva, see Laghuvarapu, Siddhartha,
see Modee, Rohit
-
probability, 43(7)457--464, 44(8)935--947
-
probe, 44(16)1484--1492
-
probing, 41(13)1271--1284, 42(26)1905--1913, 43(11)746--756
-
problem, 41(24)2115--2123, 43(1)43--56, 44(23)1884--1897
-
Procacci, Piero, 44(12)1221--1230
-
Procacci, Piero, see Macchiagodena, Marina
-
process, 41(1)6--13, 41(13)1271--1284, 41(16)1486--1496, 42(1)60--65,
43(13)906--916, 43(21)1442--1458, 43(31)2084--2098, 44(4)546--558,
44(6)732--744
-
processing, 41(8)830--838, 43(25)1680--1689
-
processors, 44(3)381--396
-
prodrug, 41(4)290--294, 41(16)1486--1496
-
Producing, 43(31)2084--2098
-
product, matrix-, 41(32)2707--2721
-
Prof, Alexander V. Myshlyavtsev, 41(23)2084--2097
-
Prof, Alexander V. Myshlyavtsev,
see PhD, Sergey S. Akimenko
-
Prof, Marta D. Myshlyavtseva, 41(23)2084--2097
-
Prof, Marta D. Myshlyavtseva,
see PhD, Sergey S. Akimenko
-
Proficz, Jerzy, 44(4)602--625, 44(16)1470--1483
-
Proficz, Jerzy, see Lipska, Agnieszka G.,
see Sieradzan, Adam K.
-
profile, 41(16)1509--1520, 41(22)1973--1984, 42(20)1452--1460
-
profiling, 42(22)1561--1578
-
Proft, Frank, De, 44(3)442--455
-
program, 42(28)2031--2035, 42(28)2036--2048, 42(32)2341--2351,
43(3)215--224, 43(17)1151--1160, 44(3)381--396, 44(13)1316--1328,
44(20)1750--1766
-
programmed, 44(3)381--396
-
programming, 44(3)381--396
-
Progress, 41(10)1000--1011
-
projection, 41(15)1464--1479, 41(21)1931--1940, 43(6)382--390
-
projector-augmented-wave-based, 41(21)1931--1940
-
projector-based, 41(24)2151--2157
-
prolapse, 43(28)1901--1910
-
proline, 42(15)1088--1094
-
promenades, 41(13)1310--1323
-
Promising, 44(16)1505--1516
-
promoted, carboxylate-, 41(25)2197--2202
-
promotion, 42(19)1364--1372
-
propene, 2-siloxy-1-, 43(6)402--412
-
propensity, 44(3)432--441, 44(8)874--886
-
properly, 44(3)381--396
-
property, 41(3)258--265, 41(6)513--519, 41(6)587--603, 41(7)646--652,
41(7)731--738, 41(8)759--768, 41(15)1456--1463, 41(16)1497--1508,
41(21)1921--1930, 41(22)1946--1955, 41(29)2504--2526,
41(30)2598--2603, 41(31)2653--2662, 42(3)180--191, 42(5)303--309,
42(11)746--760, 42(11)793--800, 42(20)1390--1401, 42(20)1452--1460,
42(21)1486--1497, 42(25)1803--1808, 42(28)2014--2023,
43(9)631--643, 43(10)704--716, 43(12)828--838, 43(15)1033--1041,
43(23)1561--1572, 43(25)1701--1718, 43(27)1848--1855,
43(29)1978--1984, 43(30)2001--2008, 43(32)2103--2120,
44(3)229--239, 44(3)248--255, 44(6)745--754, 44(9)954--961,
44(10)1016--1030, 44(10)1052--1063, 44(12)1199--1207,
44(23)1875--1883, 44(23)1898--1911
-
Property-oriented, 42(30)2154--2162
-
propylene, 43(14)961--971
-
Prosmiti, Rita, 44(17)1587--1598
-
Prosmiti, Rita, see Valdés, Álvaro
-
protease, 41(19)1773--1780, 42(17)1225--1235, 42(26)1861--1872,
44(8)887--901, 44(15)1437--1445, 44(26)2086--2095
-
protein, 41(1)56--68, 41(5)439--448, 41(6)528--537, 41(6)538--551,
41(8)745--750, 41(11)1105--1115, 41(17)1606--1615,
41(24)2104--2114, 41(28)2406--2419, 41(32)2740--2749, 42(1)19--26,
42(1)50--59, 42(5)271--292, 42(5)358--364, 42(8)552--563,
42(9)600--607, 42(13)897--907, 42(15)1088--1094, 42(18)1263--1282,
42(21)1466--1474, 42(22)1579--1589, 42(23)1643--1661,
42(29)2054--2067, 42(30)2170--2180, 42(31)2250--2257, 43(1)74--78,
43(3)197--205, 43(4)255--264, 43(5)349--358, 43(6)391--401,
43(8)504--518, 43(9)619--630, 43(17)1140--1150, 43(18)1237--1250,
43(26)1771--1782, 43(28)1911--1922, 43(31)2047--2059,
44(4)602--625, 44(7)857--868, 44(8)874--886, 44(9)1002--1009,
44(11)1094--1104, 44(11)1129--1137, 44(14)1360--1368,
44(14)1369--1380, 44(15)1437--1445, 44(16)1493--1504,
44(17)1560--1577, 44(18)1634--1644, 44(25)1976--1985
-
protein, compound-, 43(4)255--264
-
protein, G-, 41(9)874--884
-
Protein, Peptide-, 41(4)362--369
-
Protein, Protein-, 41(6)552--560
-
protein, protein-, 41(15)1436--1447, 42(14)956--969,
43(25)1747--1757
-
protein--protein, 41(15)1436--1447, 42(14)956--969
-
Protein-Coupled, G-, 41(5)460--471
-
protein-glycosaminoglycan, 43(24)1633--1640
-
Protein-Ligand, 41(6)573--586
-
protein-ligand, 43(12)847--863, 43(20)1362--1371, 44(14)1369--1380
-
Protein-Protein, 41(6)552--560
-
protein-protein, 43(25)1747--1757
-
protein-state, 43(20)1342--1354
-
ProteinUnet, 42(1)50--59
-
protic, 43(27)1856--1863
-
protocol, 42(31)2241--2249, 43(2)84--95, 43(3)170--183,
43(20)1355--1361, 43(24)1641--1655, 44(12)1221--1230
-
proton, 41(1)21--30, 41(11)1068--1080, 41(20)1835--1841,
41(32)2684--2694, 42(16)1106--1117, 42(22)1579--1589, 43(1)19--28
-
protonated, 41(4)349--361, 42(4)261--263, 42(18)1248--1262
-
protoporphyrin, 44(11)1138--1147
-
prototyping, 44(5)697--709
-
Provasi, P. F., 44(17)1578--1586
-
Provasi, P. F., see Pagola, G. I.
-
Provasi, Patricio F., 41(1)43--55, 42(25)1772--1782
-
Provasi, Patricio F., see Haase, Pi A. B.,
see Pagola, Gabriel I.
-
provide, 41(26)2251--2265, 44(3)381--396
-
provided, 44(3)381--396
-
proximity-enforced, 44(3)456--467
-
Prp, 43(9)619--630
-
Pseudodiagonalization-based, 41(3)184--193
-
pseudoknots, 42(11)771--786
-
Pseudomonas, 41(6)500--512
-
Pseudopotentials, 42(29)2054--2067
-
Pseudospectral, 42(29)2089--2102
-
Psi4, 41(19)1781--1789
-
PSIXAS, 41(19)1781--1789
-
Pt, 41(3)194--202, 44(18)1645--1652
-
Pt111, 42(30)2163--2169
-
PtII, 42(9)608--619
-
PtIV, 41(4)290--294, 42(9)608--619
-
Pu, Yong, 42(28)2024--2030
-
Pu, Yong, see Li, Feng
-
Puchta, Ralph, 43(17)1161--1175
-
Puchta, Ralph, see {\'C}o'ci{\'c}, Dusan
-
pucker, 43(30)2009--2022
-
Pujal, Leila, 42(6)458--464
-
Pujal, Leila, see Verstraelen, Toon
-
Puk, Kin Ming, 43(20)1342--1354
-
Puk, Kin Ming, see Bai, Fangyun
-
pull, push-, 42(16)1159--1177, 43(9)631--643, 43(22)1464--1473
-
pulse, 44(21)1776--1785
-
pure, 43(28)1892--1900, 43(29)1978--1984
-
purpose, all-, 42(6)447--457
-
purpose, multi-, 42(28)2004--2013
-
purposes, 42(22)1540--1551, 43(13)917--922
-
push-pull, 42(16)1159--1177, 43(9)631--643, 43(22)1464--1473
-
Puskárová, Ingrid, 41(7)698--714,
see Malcek, Michal
-
putative, 42(30)2170--2180
-
Puzyk, Aleksandra M., 42(28)2014--2023
-
Puzyk, Aleksandra M., see Karpov, Valerii V.
-
puzzling, 41(15)1421--1426
-
PyCDFT, 41(20)1859--1867
-
PYK2, 43(28)1911--1922
-
pyranose, 43(30)2009--2022
-
pyrazine-M, 41(17)1628--1637
-
pyrazole, 42(32)2306--2320
-
PyRETIS, 41(4)370--377
-
pyridine, 42(25)1792--1802
-
pyrido, 43(14)972--985
-
pyrido, -, 43(14)972--985
-
pyrimidin-3-yl, 43(14)972--985
-
pyrolysis, 43(15)1023--1032
-
pyrrolylenones, 43(23)1596--1607
-
pyrrolylenones, -, 43(23)1596--1607
-
Python, 41(20)1859--1867, 41(29)2504--2526, 42(6)458--464,
42(13)930--943, 42(18)1321--1331, 42(29)2116--2129, 44(5)697--709
-
Python-based, 42(24)1755--1766
-
PyUNIxMD, 42(24)1755--1766
-
PyVisA, 42(6)435--446