[
1
]University Lille
CNRS UMR8576 UGSF
Lille
F‐59000France
[
2
]
European Molecular Biology LaboratoryEuropean Bioinformatics Institute (EMBL‐EBI)
Wellcome Trust Genome Campus
Hinxton
Cambridge
CB10 1SDUnited Kingdom
[
3
]
Genome CenterUniversity of California
Davis
California
95616
[
4
]Research Support Computing, University of Missouri Bioinformatics Consortium, and
Department of Computer Science, University of Missouri Columbia
Missouri
65211
[
5
]
Department of Bioengineering and Therapeutic SciencesUniversity of California San Francisco
San Francisco
California
94158
[
6
]
Department of Pharmaceutical ChemistryUniversity of California San Francisco
San Francisco
California
94158
[
7
]
California Institute for Quantitative Biosciences (QB3)University of California San Francisco
San Francisco
California
94158
[
8
]GN7 of the National Institute for Bioinformatics (INB) and Biocomputing Unit, National
Center of Biotechnology (CSIC)
Madrid
28049Spain
[
9
]Institute of Biological, Environmental and Rural Sciences (IBERS), Aberystwyth University
Aberystwyth
SY233FGUnited Kingdom
[
10
]
Department of Computer ScienceUniversity of Texas at Austin
Austin
Texas
78712
[
11
]Institute for Computational Engineering and Sciences, University of Texas at Austin
Austin
Texas
78712
[
12
]
Department of ChemistryUniversity of Texas at Austin
Austin
Texas
78712
[
13
]LJK, University Grenoble Alpes, CNRS
Grenoble
38000France
[
14
]INRIA
Grenoble
38000France
[
15
]Moscow Institute of Physics and Technology
DolgoprudniyRussia
[
16
]
Department of ChemistrySeoul National University
Seoul
151‐747Republic of Korea
[
17
]
Department of Physics and Institute of Molecular BiophysicsFlorida State University
Tallahassee
Florida
32306USA
[
18
]INRIA Nancy—Grand Est
Villers‐lès‐Nancy
54600France
[
19
]CNRS, LORIA
Campus Scientifique, BP 239
Vandœuvre‐lès‐Nancy
54506France
[
20
]
Department of Computer Science and EngineeringUniversity of Mauritius
ReduitMauritius
[
21
]Biomolecular Modelling Laboratory, the Francis Crick Institute, Lincoln's Inn Fields
Laboratory
London
WC2A 3LYUnited Kingdom
[
22
]G‐INCPM, Weizmann Institute of Science
Rehovot
7610001Israel
[
23
]
Department of Chemical Research SupportWeizmann Institute of Science
Rehovot
7610001Israel
[
24
]Sealy Center for Structural Biology and Molecular Biophysics, University of Texas
Medical Branch
301 University Boulevard
Galveston
Texas
77555‐0857
[
25
]Program in Bioinformatics and Integrative Biology, University of Massachusetts Medical
School
Worcester
Massachusetts
01605
[
26
]Institute for Integrative Biology of the Cell (I2BC), CEA, CNRS, University Paris‐Saclay,
CEA‐Saclay
Gif‐sur‐Yvette
91191France
[
27
]Bijvoet Center for Biomolecular Research, Faculty of Science – Chemistry, Utrecht
University
Padualaan 8
Utrecht
3584 CHThe Netherlands
[
28
]Dalton Cardiovascular Research Center, University of Missouri
Columbia
Missouri
65211
[
29
]
Department of Physics and AstronomyUniversity of Missouri
Columbia
Missouri
65211
[
30
]
Department of Computer ScienceUniversity of Missouri
Columbia
Missouri
65211
[
31
]Informatics Institute, University of Missouri
Columbia
Missouri
65211
[
32
]
Department of BiochemistryUniversity of Missouri
Columbia
Missouri
65211
[
33
]Toyota Technological Institute at Chicago
6045 S Kenwood Avenue
Chicago
Illinois
60637
[
34
]
Department of Biological SciencesPurdue University
West Lafayette
Indiana
47907
[
35
]Bioinformatics and Computational Biosciences Branch, Rocky Mountain Laboratories,
National Institutes of Health
Hamilton
Montano 59840
[
36
]
Department of Computer SciencePurdue University
West Lafayette
INUSA
47907
[
37
]
Molecular and Cellular Modeling GroupHeidelberg Institute for Theoretical Studies (HITS)
HeidelbergGermany
[
38
]Center for Molecular Biology (ZMBH), DKFZ‐ZMBH Alliance, Heidelberg University
HeidelbergGermany
[
39
]Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University
HeidelbergGermany
[
40
]Center for Computational Biology, The University of Kansas
Lawrence
Kansas
66047
[
41
]
Department of Molecular BiosciencesThe University of Kansas
Lawrence
Kansas
66047
[
42
]Computational Biology Research Center (CBRC), National Institute of Advanced Industrial
Science and Technology (AIST)
Koto‐KuJapan
[
43
]
Graduate School of Frontier Sciencesthe University of Tokyo
KashiwaJapan
[
44
]Joint BSC‐CRG‐IRB Research Program in Computational Biology, Barcelona Supercomputing
Center
C/Jordi Girona 29
Barcelona
08034Spain
[
45
]Center for in‐Silico Protein Science, Korea Institute for Advanced Study
Seoul
130‐722
Korea
[
46
]Center for Advanced Computation, Korea Institute for Advanced Study
Seoul
130‐722
Korea
[
47
]
School of Computational ScienceKorea Institute for Advanced Study
Seoul
130‐722
Korea
[
48
]
Department of Biomedical EngineeringBoston University
Boston
Massachusetts
[
49
]
Department of ChemistryBoston University
Boston
Massachusetts
[
50
]Institute of Biological Diversity, International Pacific Institute of Indiana
Bloomington
Indiana
47401
[
51
]Drosophila Genetic Resource Center, Kyoto Institute of Technology
Ukyo‐Ku
616‐8354Japan
[
52
]International University of Health and Welfare Hospital (IUHW Hospital)
Asushiobara‐City, Tochigi Prefecture
329‐2763Japan
[
53
]
Department of Chemical and Biomolecular EngineeringJohns Hopkins University
Baltimore
Maryland
21218
[
54
]Program in Molecular Biophysics, Johns Hopkins University
Baltimore
Maryland
21218
[
55
]King Abdullah University of Science and Technology Saudi Arabia
[
56
]University of Naples “Parthenope”
NapoliItaly
[
57
]J. Craig Venter Institute
9704 Medical Center Drive
Rockville
Maryland
20850
[
58
]
Departments of Biochemistry and Molecular GeneticsUniversity of Toronto
Toronto
OntarioCanada
[
59
]VIB Structural Biology Research Center
VUB Pleinlaan 2
Brussels
1050Belgium
[
60
]Present address: Tyler M. Borrman current address is Institute for Bioscience and Biotechnology Research,
University of Maryland
Rockville
MD
20850
[
61
]Present address: Yang Shen current address is Center for Bioinformatics and Genomic Systems Engineering,
Department of Electrical and Computer Engineering, Texas a&M University
College Station
TX
77843
[
62
]Present address: Kenichiro Imai, Toshiyuki Oda, and Kentaro Tomii current address is Biotechnology
Research Institute for Drug Discovery, National Institute of Advanced Industrial Science
and Technology (AIST)
Koto‐KuJapan
[
63
]Present address: Kazunori Yamada current address is Group of Electrical Engineering, Communication
Engineering, Electronic Engineering, and Information Engineering, Tohoku University
SendaiJapan
[
64
]Present address: Iain H. Moal current address is European Molecular Biology Laboratory, European Bioinformatics
Institute (EMBL‐EBI), Wellcome Trust Genome Campus
Hinxton
Cambridge
CB10 1SDUnited Kingdom
[
65
]Present address: Daisuke Kuroda current address is School of Pharmacy, Showa University
Shinagawa‐Ku
Tokyo
142‐8555Japan
License:
This is an open access article under the terms of the
Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided
the original work is properly cited.