Insight into Protein-protein Interactions Obtained from Structural Analysis of Crystal and MD Simulation Ensembles
会议名称：《第十七届国际生物物理大会;第十二届中国生物物理大会》
会议日期：2011年
学科分类：0710[理学-生物学] 071010[理学-生物化学与分子生物学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术]
关 键 词：protein protein interactions pRMSD RMSF molecular dynamics simulations conformational networks
摘 要：To quantitatively understand the applicability of two popular molecular models of protein protein interactions, namely induced fit and conformer selection,we set to analyze many crystal structure ensembles that have significant representation of both free and complex *** initial analysis of 79 free form and 44 complex form lysozyme structures indicate that these limited conformational sets are consistent with a mixture of the two ***,pairwise root mean squared deviations(pRMSD) are found to be a better