Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method-Reference-Cited by-同舟云学术

Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method

Published:2012-02-03 Issue:2 Volume:8 Page:677-687
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chaudhury Sidhartha¹,Olson Mark A.²,Tawa Gregory¹,Wallqvist Anders¹,Lee Michael S.³

Affiliation:

1. Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, U.S Army Medical Research and Materiel Command, Fort Detrick, Maryland

2. Department of Cell Biology and Biochemistry, U.S. Army Medical Research Institute of Infectious Diseases, Fort Detrick, Maryland

3. Computational Sciences and Engineering Branch, U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200529b

Reference31 articles.

1. Ab initio replica-exchange Monte Carlo method for cluster studies

2. Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules

3. Self-guided Langevin dynamics simulation method

4. Generation of accurate protein loop conformations through low-barrier molecular dynamics

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