Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis

Abstract

We describe a novel method to develop energetically optimized, structure-based pharmacophores for use in rapid in silico screening. The method combines pharmacophore perception and database screening with protein-ligand energetic terms computed by the Glide XP scoring function to rank the importance of pharmacophore features. We derive energy-optimized… (More)
DOI: 10.1021/ci900212v

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Cite this paper

@article{Salam2009NovelMF, title={Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis}, author={Noeris K. Salam and Roberto Nuti and Woody Sherman}, journal={Journal of chemical information and modeling}, year={2009}, volume={49 10}, pages={2356-68} }