Design of force fields from data at finite temperature
被引:6
作者:
Deutsch, JM
论文数: 0引用数: 0
h-index: 0
机构:University of California, Santa Cruz, CA
Deutsch, JM
Kurosky, T
论文数: 0引用数: 0
h-index: 0
机构:University of California, Santa Cruz, CA
Kurosky, T
机构:
[1] University of California, Santa Cruz, CA
来源:
PHYSICAL REVIEW E
|
1997年
/
56卷
/
04期
基金:
美国国家科学基金会;
关键词:
D O I:
10.1103/PhysRevE.56.4553
中图分类号:
O35 [流体力学];
O53 [等离子体物理学];
学科分类号:
070204 ;
080103 ;
080704 ;
摘要:
We investigate the problem of how to obtain the force field between atoms of an experimentally determined structure. We show how this problem can be efficiently solved, even at finite temperature, where the position of the atoms differs substantially from the ground state. We apply our method to systems modeling proteins and demonstrate that the correct potentials can be recovered even in the presence of thermal noise.