Implementation of Telescoping Boxes in Adaptive Steered Molecular Dynamics-Reference-Cited by-同舟云学术

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Implementation of Telescoping Boxes in Adaptive Steered Molecular Dynamics

Published:2022-07-13 Issue:8 Volume:18 Page:4649-4659
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhuang Yi¹^ORCID,Thota Nikhil²^ORCID,Quirk Stephen³^ORCID,Hernandez Rigoberto¹²⁴^ORCID

Affiliation:

1. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States

2. Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218, United States

3. Kimberly-Clark Corporation, Atlanta, Georgia 30076-2199, United States

4. Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00498

Reference111 articles.

1. Simulations: The dark side

2. Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes

3. Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands

4. Mechanisms of Nanonewton Mechanostability in a Protein Complex Revealed by Molecular Dynamics Simulations and Single-Molecule Force Spectroscopy

5. Experimental accuracy in protein structure refinement via molecular dynamics simulations

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3. Shocker─A Molecular Dynamics Protocol and Tool for Accelerating and Analyzing the Effects of Osmotic Shocks;Journal of Chemical Theory and Computation;2023-12-18

4. Telescoping-Solvation-Box Protocol-Based Umbrella Sampling Method for Potential Mean Force Estimation;Journal of Chemical Information and Modeling;2023-09-16

5. Probing the stability and interdomain interactions in the ABC transporter OpuA, using single-molecule optical tweezers;2023-09-05

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