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Path-Integral Method for Predicting Relative Binding Affinities of Protein−Ligand Complexes

✍ Scribed by Mulakala, Chandrika; Kaznessis, Yiannis N.

Book ID
126267970
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
157 KB
Volume
131
Category
Article
ISSN
0002-7863

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