Removing Thermostat Distortions of Protein Dynamics in Constant-Temperature Molecular Dynamics Simulations
Author:
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00448
Reference54 articles.
1. Molecular dynamics simulations at constant pressure and/or temperature
2. Molecular dynamics with coupling to an external bath
3. A unified formulation of the constant temperature molecular dynamics methods
4. Canonical dynamics: Equilibrium phase-space distributions
5. An analysis of the accuracy of Langevin and molecular dynamics algorithms
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