Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.
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ABSTRACT:
SUBMITTER: Zhang W
PROVIDER: S-EPMC4213317 | biostudies-literature | 2013 Oct
REPOSITORIES: biostudies-literature
Publications
Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.
Zhang Wei W Li Rongbao R Shin Ronald R Wang Yimin Y Padmalayam Indira I Zhai Ling L Krishna N Rama NR
ChemMedChem 20130725 10
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. ...[more]
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