Identification of the Binding Site of an Allosteric Ligand Using STD-NMR, Docking, and CORCEMA-ST Calculations

Overview

Journal ChemMedChem

Specialties Chemistry
Pharmacology

Date 2013 Jul 30

PMID 23894090

Citations 3

Authors

Wei Zhang

Rongbao Li

Ronald Shin

Yimin Wang

Indira Padmalayam

Ling Zhai

N Rama Krishna

Affiliations

Soon will be listed here.

Abstract

Singling out the truth: A combined application of STD-NMR, molecular docking, and CORCEMA-ST calculations is described as an attractive, easily applicable tool for the identification and validation of the binding site for allosteric ligands, with potential application as an aid in drug discovery research.

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