第一单位：
Institute of Chemistry, Campus Merida, National Autonomous University of Mexico, Merida‑Tetiz Highway, Km. 4.5, Ucu, Yucatan, Mexico.
作者：
Karla,Gonzalez-Ponce [1]
;
Carolina,Horta Andrade [2]
;
Fiona,Hunter [3]
;
Johannes,Kirchmair [4]
;
Karina,Martinez-Mayorga [5]
;
José L,Medina-Franco [6]
;
Matthias,Rarey [7]
;
Alexander,Tropsha [8]
;
Alexandre,Varnek [9]
;
Barbara,Zdrazil [3]
作者单位：
Institute of Chemistry, Campus Merida, National Autonomous University of Mexico, Merida‑Tetiz Highway, Km. 4.5, Ucu, Yucatan, Mexico.
[1]
LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goias, Goiania, GO, Brazil.
[2]
European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, CB10 1SD, Cambridgeshire, UK.
[3]
Division of Pharmaceutical Chemistry, Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, 2D 303, 1090, Vienna, Austria.
[4]
Institute of Chemistry, Campus Merida, National Autonomous University of Mexico, Merida‑Tetiz Highway, Km. 4.5, Ucu, Yucatan, Mexico. kmtzm@unam.mx.;Institute for Applied Mathematics and Systems, Merida Research Unit, National Autonomous University of Mexico, Sierra Papacal, Merida, Yucatan, Mexico. kmtzm@unam.mx.
[5]
DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, Avenida Universidad 3000, 04510, Mexico City, Mexico. medinajl@unam.mx.
[6]
ZBH - Center for Bioinformatics, Universität Hamburg, Bundesstraße 43, 20146, Hamburg, Germany.
[7]
Molecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, NC, 27599, USA.
[8]
Laboratoire d'Infochimie, UMR 7177 CNRS, Université de Strasbourg, 4, Rue B. Pascal, 67000, Strasbourg, France.
[9]
DOI
10.1186/s13321-023-00758-0
PMID
37726809
发布时间
2023-11-21
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