Smoothing potential energy surface of proteins by hybrid coarse grained approach
- ISSN号:1674-1056
- 期刊名称:《中国物理B:英文版》
- 时间:0
- 分类:Q51[生物学—生物化学] TV698.11[水利工程—水利水电工程]
- 作者机构:[1]Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China, [2]School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
- 相关基金:Project supported by the National Basic Research Program of China (Grant No. 2013CB932803), the National Natural Science Foundation of China (Grant No. 11574310), and the Joint NSFC-ISF Research Program, jointly funded by the National Natural Science Foundation of China and the Israel Science Foundation (Grant No. 51561145002).Acknowledgment The authors thank the support from the massive computation cluster in the Institute of Theoretical Physics of Chinese Academy of Sciences. Most long time simulations were carried out on this platform. Y. L. also appreciates the kind help from Shun Xu, who built a friendly and high-performance computational cluster that enabled us to quickly verify this idea in a small system and allowed us to frequently test the code without following the queue.
中文摘要:
Corresponding author. E-mail: xzhou@ucas.ac.cn