A novel multiscale scheme to accelerate atomistic simulations of bio-macromolecules by adaptively driving coarse-grained coordinates-Reference-Cited by-同舟云学术

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A novel multiscale scheme to accelerate atomistic simulations of bio-macromolecules by adaptively driving coarse-grained coordinates

Published:2020-03-21 Issue:11 Volume:152 Page:114115
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Wu Kai¹,Xu Shun²,Wan Biao³,Xiu Peng¹^ORCID,Zhou Xin⁴

Affiliation:

1. Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, China

2. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China

3. Beijing Computational Science Research Center, Beijing 1100193, China

4. School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China

Funder

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5135309

Reference82 articles.

1. Biomolecular Simulation: A Computational Microscope for Molecular Biology

2. Picosecond to Millisecond Structural Dynamics in Human Ubiquitin

3. Atomic-Level Characterization of the Structural Dynamics of Proteins

4. How Fast-Folding Proteins Fold

5. To milliseconds and beyond: challenges in the simulation of protein folding

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