Characterization of binding sites and protein interaction surfaces by thermodynamic analysis of hydration sites

被引:0
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作者
Beuming, Thijs [1 ]
Abel, Robert [1 ]
Sherman, Woody [1 ]
机构
[1] Schrodinger Inc, New York, NY USA
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
370-COMP
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页数:1
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