Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields-Reference-Cited by-同舟云学术

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Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields

Published:2022-07-05 Issue:17 Volume:23 Page:
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Allen Caley¹^ORCID,Bureau Hailey R.¹^ORCID,McGee T. Dwight²^ORCID,Quirk Stephen³^ORCID,Hernandez Rigoberto¹⁴⁵^ORCID

Affiliation:

1. Department of Chemistry Johns Hopkins University Baltimore MD 21218

2. Roivant Sciences, Inc. 451 D Street Boston MA 02210

3. Kimberly-Clark Corporation Atlanta GA 30076-2199

4. Department of Chemical and Biomolecular Engineering, Johns Hopkins University Baltimore MD 21218

5. Department of Materials Science and Engineering Johns Hopkins University Baltimore MD 21218

Funder

National Science Foundation

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202200175

Reference82 articles.

1. Replica-exchange molecular dynamics method for protein folding

2. High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

3. Steered molecular dynamics investigations of protein function

4. Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equality

5. Calculating potentials of mean force from steered molecular dynamics simulations

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