MILCDock: Machine Learning Enhanced Consensus Docking for Virtual Screening in Drug Discovery
Author:
Affiliation:
1. Department of Physics and Astronomy, Brigham Young University, Provo, Utah84602, United States
2. Department of Computer Science, Brigham Young University, Provo, Utah84602, United States
Funder
Brigham Young University
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.2c00705
Reference45 articles.
1. Ultra-large library docking for discovering new chemotypes
2. An open-source drug discovery platform enables ultra-large virtual screens
3. Study on Structure Activity Relationship of Natural Flavonoids against Thrombin by Molecular Docking Virtual Screening Combined with Activity Evaluation In Vitro
4. New potential inhibitors of mTOR: a computational investigation integrating molecular docking, virtual screening and molecular dynamics simulation
5. Anti-HCV and anti-malaria agent, potential candidates to repurpose for coronavirus infection: Virtual screening, molecular docking, and molecular dynamics simulation study
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