Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials-Reference-Cited by-同舟云学术

Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials

Published:2024-02-20 Issue:5 Volume:64 Page:1481-1485
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sabanés Zariquiey Francesc¹²^ORCID,Galvelis Raimondas¹²^ORCID,Gallicchio Emilio³^ORCID,Chodera John D.⁴^ORCID,Markland Thomas E.⁵^ORCID,De Fabritiis Gianni¹²⁶^ORCID

Affiliation:

1. Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr. Aiguader 88, 08003 Barcelona, Spain

2. Acellera Labs, C Dr Trueta 183, 08005 Barcelona, Spain

3. Department of Chemistry, Graduate Center, Brooklyn College, City University of New York, New York, New York 11210, United States

4. Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States

5. Department of Chemistry, Stanford University, 337 Campus Drive, Stanford, California 94305, United States

6. Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluis Companys 23, 08010 Barcelona, Spain

Funder

National Cancer Institute

Agencia Estatal de Investigaci?n

Ministerio de Ciencia e Innovaci?n

Memorial Sloan-Kettering Cancer Center

Horizon 2020 Framework Programme

National Institute of General Medical Sciences

National Science Foundation

Publisher

American Chemical Society (ACS)