核酸的CHARMM力场的发展与现状
Development and current status of the CHARMM force field for nucleic acids.
作者信息
MacKerell A D, Banavali N, Foloppe N
机构信息
Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 N. Pine Street, Baltimore, MD 21201, USA.
出版信息
Biopolymers. 2000;56(4):257-65. doi: 10.1002/1097-0282(2000)56:4<257::AID-BIP10029>3.0.CO;2-W.
The CHARMM27 all-atom force field for nucleic acids represents a highly optimized model for investigations of nucleic acids via empirical force field calculations. The force field satisfactorily treats the A, B, and Z forms of DNA as well as RNA, and it also useful for nucleosides and nucleotides. In addition, it is compatible with the CHARMM force fields for proteins and lipids, allowing for simulation studies of heterogeneous systems.
用于核酸的CHARMM27全原子力场是一种经过高度优化的模型，可通过经验力场计算来研究核酸。该力场能令人满意地处理DNA的A、B和Z型以及RNA，对核苷和核苷酸也很有用。此外，它与用于蛋白质和脂质的CHARMM力场兼容，可用于异质系统的模拟研究。
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