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VALIDATE: A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands

✍ Scribed by Head, Richard D.; Smythe, Mark L.; Oprea, Tudor I.; Waller, Chris L.; Green, Stuart M.; Marshall, Garland R.


Book ID
127060017
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
284 KB
Volume
118
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