Open AccessConformational Effects on Physical-Organic Descriptors: The Case of Sterimol Steric Parameters
Author(s) -
Alexandre Brethomé,
Stephen P. Fletcher,
Robert S. Paton
Publication year - 2019
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.8b04043
Subject(s) - workflow , computer science , conformational isomerism , virtual screening , steric effects , chemistry , biological system , artificial intelligence , computational chemistry , molecular dynamics , molecule , database , stereochemistry , organic chemistry , biology
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