Parametrization of halogen bonds in the CHARMM general force field

被引:0
|
作者
Lin, Fang-Yu [2 ]
Soteras, Ignacio [2 ]
Vanommeslaeghe, Kenno [3 ]
Lemkul, Justin [2 ]
Armacost, Kira [1 ]
Mackerell, Alexander [2 ]
机构
[1] Univ Michigan, Chem, Ann Arbor, MI 48109 USA
[2] Univ Maryland, Sch Pharm, Comp Aided Drug Design Ctr, Dept Pharmaceut Sci, Baltimore, MD 21201 USA
[3] Vrije Univ Brussel, Ctr Pharmaceut Res CePhaR, Dept Analyt Chem & Pharmaceut Technol FABI, Brussels, Belgium
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 252卷
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
255
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页数:1
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