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D

David W. Swenson

open molecular software foundation
H指数:20
被引数:2,485

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Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE

利用OpenFE进行药物发现中结合自由能计算的大规模协作评估

Journal of Chemical Information and Modeling
IF5.3
2026-05-210
PRE
Hannah M. Baumann; Joshua T. Horton; Michael M. Henry; Alyssa Travitz; Benjamin Ries; Richard J. Gowers; David W. H. Swenson; Iván Pulido; Dominic Rufa; David L. Dotson; Nupur Bansal; Joseph P. Bluck; Howard Broughton; Kira A. Campbell; Lili Cao; Benedikt Frieg; Vytautas Gapsys; Hendrik Göddeke; Marco Klähn; Sirish Kaushik Lakkaraju; Stephanie M. Linker; Thomas Löhr; Aniket Magarkar; Sergio Pérez-Conesa; Hans E. Purkey; Hayk Saribekyan; Jenke Scheen; Christina E. M. Schindler; Thomas Steinbrecher; Chaya D. Stern; Patricia Suriana; William C. Swope; Gary Tresadern; Lev Tsidilkovski; Binqing Wei; Alexander H. Williams; Yao Wu; Ivy Zhang; John D. Chodera; James R. B. Eastwood; David L. Mobley; Irfan Alibay
Promoting transparency and reproducibility in enhanced molecular simulations

提高增强分子模拟的透明度和再现性

NATURE METHODS
IF32.1
2019-07-30715
OAAI
Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A.; Banas, Pavel; Barducci, Alessandro; Bernetti, Mattia; Bolhuis, Peter G.; Bottaro, Sandro; Branduardi, Davide; Capelli, Riccardo; Carloni, Paolo; Ceriotti, Michele; Cesari, Andrea; Chen, Haochuan; Chen, Wei; Colizzi, Francesco; De, Sandip; De La Pierre, Marco; Donadio, Davide; Drobot, Viktor; Ensing, Bernd; Ferguson, Andrew L.; Filizola, Marta; Fraser, James S.; Fu, Haohao; Gasparotto, Piero; Gervasio, Francesco Luigi; Giberti, Federico; Gil-Ley, Alejandro; Giorgino, Toni; Heller, Gabriella T.; Hocky, Glen M.; Iannuzzi, Marcella; Invernizzi, Michele; Jelfs, Kim E.; Jussupow, Alexander; Kirilin, Evgeny; Laio, Alessandro; Limongelli, Vittorio; Lindorff-Larsen, Kresten; Lohr, Thomas; Marinelli, Fabrizio; Martin-Samos, Layla; Masetti, Matteo; Meyer, Ralf; Michaelides, Angelos; Molteni, Carla; Morishita, Tetsuya; Nava, Marco; Paissoni, Cristina; Papaleo, Elena; Parrinello, Michele; Pfaendtner, Jim; Piaggi, Pablo; Piccini, GiovanniMaria; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Provasi, Davide; Quigley, David; Raiteri, Paolo; Raniolo, Stefano; Rydzewski, Jakub; Salvalaglio, Matteo; Sosso, Gabriele Cesare; Spiwok, Vojtech; Sponer, Jiri; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew

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P
Peter G. Bolhuis
H 指数:62论文数:242被引数:1.7万
G
Grayson L. Baird
H 指数:32论文数:294被引数:4,945
E
Elizabeth H. Dibble
H 指数:21论文数:87被引数:1,713
J
Jocelyne Vreede
H 指数:23论文数:93被引数:1,851
J
John D. Chodera
H 指数:68论文数:343被引数:2.6万
I
Irfan Alibay
H 指数:10论文数:87被引数:370
M
Michael M. Henry
H 指数:16论文数:79被引数:1,143
B
Benjamin Ries
H 指数:18论文数:62被引数:1,072
R
Richard Gowers
H 指数:8论文数:43被引数:2,349
F
Frank Noé
H 指数:70论文数:406被引数:2.4万