第一单位：
Exscientia plc, Schroedinger Building, Oxford, United Kingdom.
作者：
Zhiyi,Wu [1]
;
David L,Dotson [2]
;
Irfan,Alibay [3]
;
Bryce K,Allen [4]
;
Mohammad Soroush,Barhaghi [5]
;
Jérôme,Hénin [6]
;
Thomas T,Joseph [7]
;
Ian M,Kenney [8]
;
Hyungro,Lee [9]
;
Haoxi,Li [10]
;
Victoria,Lim [11]
;
Shuai,Liu [12]
;
Domenico,Marson [13]
;
Pascal T,Merz [14]
;
Alexander,Schlaich [15]
;
David,Mobley [11]
;
Michael R,Shirts [16]
;
Oliver,Beckstein [17]
作者单位：
Exscientia plc, Schroedinger Building, Oxford, United Kingdom.
[1]
Department of Physics, Arizona State University, Tempe, Arizona, United States of America.;Datryllic LLC, Phoenix, Arizona, United States of America (present affiliation).
[2]
Open Free Energy, Open Molecular Software Foundation, Davis, California, United States.
[3]
Differentiated Therapeutics, San Diego, CA.
[4]
Department of Chemical Engineering and Materials Science, Wayne State University, Detroit, Michigan, United States of America.
[5]
Université Paris Cité, CNRS, Laboratoire de Biochimie Théorique, Paris, France.
[6]
Department of Anesthesiology and Critical Care, Perelman School of Medicine, University of Pennsylvania, Philadelphia, Pennsylvania, United States of America.
[7]
Department of Physics, Arizona State University, Tempe, Arizona, United States of America.
[8]
Pacific Northwest National Laboratory, Richland, Washington, United States of America.
[9]
UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, United States of America.
[10]
Departments of Pharmaceutical Sciences and Chemistry, University of California Irvine, Irvine, California, United States of America.
[11]
Silicon Therapeutics LLC, Boston, United States of America.
[12]
Molecular Biology and Nanotechnology Laboratory (MolBNL@UniTS), DEA, University of Trieste, Trieste, Italy.
[13]
PM Scientific Consulting, Basel, Switzerland.
[14]
Stuttgart Center for Simulation Science (SC SimTech) & Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany.
[15]
University of Colorado Boulder, Boulder, Colorado, United States of America.
[16]
Department of Physics, Arizona State University, Tempe, Arizona, United States of America.;Center for Biological Physics, Arizona State University, Tempe, AZ, United States of America.
[17]
DOI
10.21105/joss.06934
PMID
40821606
发布时间
2025-08-21
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