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A Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions

โœ Scribed by Grinter, Sam Z.; Zou, Xiaoqin


Book ID
121665593
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
960 KB
Volume
35
Category
Article
ISSN
0192-8651

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An iterative knowledge-based scoring fun
โœ Sheng-You Huang; Xiaoqin Zou ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 467 KB

## Abstract We have developed an iterative knowledgeโ€based scoring function (ITScore) to describe proteinโ€“ligand interactions. Here, we assess ITScore through extensive tests on native structure identification, binding affinity prediction, and virtual database screening. Specifically, ITScore was f