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Article

Integrating water exclusion theory into β contacts to predict binding free energy changes and binding hot spots.

BMC bioinformatics - 26 Feb 2014

Liu Qian, Hoi Steven C H, Kwoh Chee Keong, Wong Limsoon, Li Jinyan

Abstract excerpt

BACKGROUND: Binding free energy and binding hot spots at protein-protein interfaces are two important research areas for understanding protein interactions. Computational methods have been developed previously for accurate prediction of binding free energy change upon mutation for interfacial residues. However, a large number of interrupted and unimportant atomic contacts are used in the training phase which...

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PMID: 24568581
DOI: 10.1186/1471-2105-15-57
PMCID: PMC3941611

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