Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning-Reference-Cited by-同舟云学术

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Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning

Published:2021-10-15 Issue:11 Volume:61 Page:5362-5376
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ricci-Lopez Joel¹²^ORCID,Aguila Sergio A.²,Gilson Michael K.³^ORCID,Brizuela Carlos A.¹^ORCID

Affiliation:

1. Centro de Investigación Científica y de Educación Superior de Ensenada (CICESE), Ensenada, Baja California C.P. 22860, Mexico

2. Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México (UNAM), Ensenada, Baja California C.P. 22860, Mexico

3. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, La Jolla, San Diego, California 92093, United States

Funder

Universidad Nacional Aut??noma de M??xico

Centro de Investigaci??n Cient??fica y de Educaci??n Superior de Ensenada, Baja California

Programa de Doctorado en Nanociencias

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00511

Reference118 articles.

1. Receptor-based virtual screening protocol for drug discovery

2. Docking and scoring in virtual screening for drug discovery: methods and applications

3. Molecular Docking: Shifting Paradigms in Drug Discovery

4. Protein flexibility in docking and surface mapping

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