Boxed Molecular Dynamics: Decorrelation Time Scales and the Kinetic Master Equation-Reference-Cited by-同舟云学术

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Boxed Molecular Dynamics: Decorrelation Time Scales and the Kinetic Master Equation

Published:2011-04-19 Issue:5 Volume:7 Page:1244-1252
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Glowacki David R.¹,Paci Emanuele²,Shalashilin Dmitrii V.³

Affiliation:

1. Centre for Computational Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom

2. Institute of Molecular and Cellular Biology, University of Leeds, Leeds LS2 9JT, United Kingdom

3. School of Chemistry, University of Leeds, Leeds LS2 9JT, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200011e

Reference56 articles.

1. Free Energy and Kinetics of Conformational Transitions from Voronoi Tessellated Milestoning with Restraining Potentials

2. Overcoming free energy barriers using unconstrained molecular dynamics simulations

3. All-atom generalized-ensemble simulations of small proteins

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