MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment-Reference-Cited by-同舟云学术

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MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment

Published:2020-08-13 Issue:11 Volume:60 Page:5437-5456
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zheng Zheng¹²^ORCID,Borbulevych Oleg Y.¹,Liu Hao³,Deng Jianpeng²,Martin Roger I.¹,Westerhoff Lance M.¹^ORCID

Affiliation:

1. QuantumBio Inc., 2790 West College Avenue, Suite 900, State College, Pennsylvania 16801, United States

2. School of Chemistry, Chemical Engineering and Life Science, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070, P. R. China

3. School of Mechanical and Electronic Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070, P. R. China

Funder

National Institutes of Health

Publisher

American Chemical Society (ACS)

Subject

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

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00618

Reference82 articles.

1. How to improve R&D productivity: the pharmaceutical industry's grand challenge

2. Noncovalent Interactions: A Challenge for Experiment and Theory

3. On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations

4. The role of quantum mechanics in structure-based drug design

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