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Phys. Rev. Lett. 100, 228102 (2008) [4 pages]

Prediction of Binding Sites in Receptor-Ligand Complexes with the Gaussian Network Model

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Turkan Haliloglu1, Emek Seyrek1, and Burak Erman2
1Polymer Research Center, Bogazici University, Bebek, Istanbul, Turkey
2Department of Chemical and Biological Engineering, Koc University, Sariyer, 34450 Istanbul, Turkey

Received 7 September 2007; published 3 June 2008

Residues at the binding sites of the ligand and receptor of several enzyme-inhibitor and antibody-antigen complexes are predicted from the slowest (for the ligand) and fastest (for the receptor) modes of motion by the Gaussian Network Model applied to unbound molecules.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.100.228102
DOI:
10.1103/PhysRevLett.100.228102
PACS:
87.15.−v, 87.14.E−, 87.85.J−