Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.
 

Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.

http://www.bionmr.com//www.ncbi.nlm....ine_120x27.gif http://www.bionmr.com//www.ncbi.nlm....ine_120x27.gif http://www.bionmr.com//www.ncbi.nlm....med-pmc-MS.gif Related Articles Identification of the binding site of an allosteric ligand using STD-NMR, docking, and CORCEMA-ST calculations.

ChemMedChem. 2013 Oct;8(10):1629-33

Authors: Zhang W, Li R, Shin R, Wang Y, Padmalayam I, Zhai L, Krishna NR

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.


PMID: 23894090 [PubMed - indexed for MEDLINE]



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