Improving relative solvation and binding free energy calculations by augmenting Thermodynamic Integration with Hamiltonian Replica Exchange

被引：0

作者：

Khavrutskii, Ilja ^{[1
]}

Wallqvist, Anders ^{[1
]}

机构：

[1] BHSAI Biotechnol HPC Software Applicat Inst, Frederick, MD USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2011年 / 241卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

47-COMP

引用

页数：1

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