Integrating water exclusion theory into βcontacts to predict binding free energy changes and binding hot spots

• Main Authors: Liu, Qian, Hoi, Steven Chu Hong, Kwoh, Chee Keong, Wong, Limsoon, Li, Jinyan
• Other Authors: School of Computer Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Engineering::Computer science and engineering
• Online Access: https://hdl.handle.net/10356/102334; http://hdl.handle.net/10220/18903
• Institution: Nanyang Technological University

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,...