Implementation of GPU-accelerated partial nudged elastic band method into Amber for finding minimum free energy pathways in biomolecular systems

被引：0
|
作者：
Ghoreishi, Delaram [1 ]
Cerutti, David [2 ]
Roitberg, Adrian [3 ]
机构：
[1] Univ Florida, Phys, Gainesville, FL USA
[2] Michigan State Univ, Chem, E Lansing, MI 48824 USA
[3] Univ Florida, Chem, Gainesville, FL USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256卷
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D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
237
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页数：2
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