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APIS: accurate prediction of hot spots in protein interfaces by combining protrusion index with solvent accessibility |
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| Authors: | Jun-Feng Xia Xing-Ming Zhao Jiangning Song De-Shuang Huang |
| Institution: | (1) Intelligent Computing Laboratory, Hefei Institute of Intelligent Machines, Chinese Academy of Sciences, P.O. Box 1130, Hefei, Anhui, 230031, China;(2) School of Life Science, University of Science and Technology of China, Hefei, Anhui, 230027, China;(3) Institute of Systems Biology, Shanghai University, Shanghai, 200444, China;(4) Bioinformatics Center, Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan;(5) Department of Biochemistry and Molecular Biology, Monash University, Melbourne, VIC, 3800, Australia |
| Abstract: | BackgroundIt is well known that most of the binding free energy of protein interaction is contributed by a few key hot spot residues. These residues are crucial for understanding the function of proteins and studying their interactions. Experimental hot spots detection methods such as alanine scanning mutagenesis are not applicable on a large scale since they are time consuming and expensive. Therefore, reliable and efficient computational methods for identifying hot spots are greatly desired and urgently required. |
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