A Stochastic, Resonance-Free Multiple Time-Step Algorithm for Polarizable Models That Permits Very Large Time Steps-Reference-Cited by-同舟云学术

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A Stochastic, Resonance-Free Multiple Time-Step Algorithm for Polarizable Models That Permits Very Large Time Steps

Published:2016-04-29 Issue:5 Volume:12 Page:2170-2180
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Margul Daniel T.¹,Tuckerman Mark E.¹²³

Affiliation:

1. Department of Chemistry, New York University, New York, New York 10003, United States

2. Courant Institute of Mathematical Sciences, New York University, New York, New York 10003, United States

3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China

Funder

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00188

Reference68 articles.

1. Replica-exchange molecular dynamics method for protein folding

2. Escaping free-energy minima

3. Computing time scales from reaction coordinates by milestoning

4. Extending molecular dynamics time scales with milestoning: Example of complex kinetics in a solvated peptide

5. Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables

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