当前位置: X-MOL 学术Annu. Rev. Biophys. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications.
Annual Review of Biophysics ( IF 10.4 ) Pub Date : 2019-03-27 , DOI: 10.1146/annurev-biophys-070317-033349
Zhifeng Jing 1 , Chengwen Liu 1 , Sara Y Cheng 1 , Rui Qi 1 , Brandon D Walker 1 , Jean-Philip Piquemal 1, 2, 3 , Pengyu Ren 1
Affiliation  

Realistic modeling of biomolecular systems requires an accurate treatment of electrostatics, including electronic polarization. Due to recent advances in physical models, simulation algorithms, and computing hardware, biomolecular simulations with advanced force fields at biologically relevant timescales are becoming increasingly promising. These advancements have not only led to new biophysical insights but also afforded opportunities to advance our understanding of fundamental intermolecular forces. This article describes the recent advances and applications, as well as future directions, of polarizable force fields in biomolecular simulations.

中文翻译:

用于生物分子模拟的极化力场:最新进展和应用。

逼真的生物分子系统建模需要对静电进行精确处理,包括电子极化。由于物理模型,仿真算法和计算硬件的最新进展,在生物学相关时间尺度上具有先进力场的生物分子仿真变得越来越有前途。这些进步不仅带来了新的生物物理见解,而且还提供了增进我们对分子间基本力理解的机会。本文介绍了生物分子模拟中极化力场的最新进展和应用以及未来的方向。
更新日期:2020-04-21
down
wechat
bug