Binding Free Energy Calculations of Dimannose to Cyanovirin-N High and Low Affinity Sites using the Jarzynski's Equality and Umbrella Sampling

被引:0
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作者
Ramadugu, Sai Kumar [1 ]
Kashyap, Hemant Kumar [1 ]
Ghirlanda, Giovanna [2 ]
Margulis, Claudio [1 ]
机构
[1] Univ Iowa, Iowa City, IA USA
[2] Arizona State Univ, Tempe, AZ USA
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中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
83
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页码:1477 / 1478
页数:2
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