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  5. Simulating Conformational Transitions of Proteins by Accelerating Collective Motions Obtained from P

Simulating Conformational Transitions of Proteins by Accelerating Collective Motions Obtained from P

来源 :中国生物化学与分子生物学会第十一次会员代表大会暨2014年全国学术会议 | 被引量 : 0次 | 上传用户：clin_789
【摘 要】
：
Enhanced sampling methods remain continuing interest over the past decades becausethey are able to explore conformational space of proteins much more extensively thanconventional molecular dynamics (M
【作 者】
：
Junhui Peng 
【机 构】
：
University of Science and Technology of China
【出 处】
：
中国生物化学与分子生物学会第十一次会员代表大会暨2014年全国学术会议
【发表日期】
：
2014年3期
【关键词】
：
enhanced sampling techniques collective motions principal component analysis 
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Enhanced sampling methods remain continuing interest over the past decades becausethey are able to explore conformational space of proteins much more extensively thanconventional molecular dynamics (MD) simulations.We report a new sampling methodthat utilizes a few collective modes obtained from principal component analysis (PCA) toguide the MD simulations.
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