Application of site-identification by ligand competitive saturation in computer-aided drug design

Name: Application of site-identification by ligand competitive saturation in computer-aided drug design
Keywords: 3. Good health

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2022 English Publisher:Royal Society of Chemistry (RSC)Journal:New Journal of Chemistry, volume 46, pages 919-932 (issn: 1144-0546, eissn: 1369-9261,

Authors: Himanshu Goel; Anthony Hazel; Wenbo Yu; Sunhwan Jo; Alexander D. MacKerell;

doi: 10.1039/d1nj04028f

pmid: 35210743

pmc: PMC8863107

Application of site-identification by ligand competitive saturation in computer-aided drug design

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Abstract

The present article summarizes the various tools developed in the context of the SILCS methodology and their utility in computer-aided drug design (CADD) applications.

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University of Maryland, College Park
United States

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Application of site-identification by ligand competitive saturation in computer-aided drug design

Application of site-identification by ligand competitive saturation in computer-aided drug design

5 Research products, page 1 of 1

hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization

Exploring protein‐protein interactions using the site‐identification by ligand competitive saturation methodology

Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling

Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots)