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Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods

โœ Scribed by Deng, W.; Breneman, C.; Embrechts, M.J.


Book ID
126972044
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
107 KB
Volume
44
Category
Article
ISSN
0095-2338

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## Abstract In this study, a novel method was developed to predict the binding affinity of proteinโ€ligand based on a comprehensive set of structurally diverse proteinโ€ligand complexes (PLCs). The 1300 PLCs with binding affinity (493 complexes with __K__~d~ and 807 complexes with __K__~i~) from the