TF3P: Three-Dimensional Force Fields Fingerprint Learned by Deep Capsular Network
Author:
Affiliation:
1. State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, P. R. China
2. Academy for Advanced Interdisciplinary Studies, Peking University, Beijing, 100191, P. R. China
Funder
Ministry of Science and Technology of the People's Republic of China
Natural Science Foundation of Beijing Municipality
National Natural Science Foundation of China
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.0c00005
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1. Do Structurally Similar Ligands Bind in a Similar Fashion?
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