Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems

Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems

Molecular dynamics with coarse-grained models is nowadays extensively used to simulate biomolecular systems at large time and size scales, compared to those accessible to all-atom molecular dynamics. In this review article, we describe the physical basis of coarse-grained molecular dynamics, the coa...

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Bibliographic Details
Main Authors: Adam Liwo, Cezary Czaplewski, Adam K. Sieradzan, Agnieszka G. Lipska, Sergey A. Samsonov, Rajesh K. Murarka
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Biomolecules
Subjects:
molecular dynamics
coarse graining
biological macromolecules
Online Access:https://www.mdpi.com/2218-273X/11/9/1347

Internet

https://www.mdpi.com/2218-273X/11/9/1347

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