Structural Validation by the G-Factor Properly Regulates Boost Potentials Imposed in Conformational Sampling of Proteins
Author:
Affiliation:
1. College of Biological Sciences, University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki 305-0821, Japan
2. Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan
Funder
Japan Society for the Promotion of Science
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00573
Reference71 articles.
1. Dynamic personalities of proteins
2. Energy landscape of a native protein: Jumping-among-minima model
3. ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
4. Showcasing modern molecular dynamics simulations of membrane proteins through G protein-coupled receptors
5. Atomic-Level Characterization of the Structural Dynamics of Proteins
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1. A Variety of Initial Velocities in Restarting Molecular Dynamics Simulations Promotes Protein Transitions;Chemistry Letters;2023-05-05
2. Protein Structure Validation Derives a Smart Conformational Search in a Physically Relevant Configurational Subspace;Journal of Chemical Information and Modeling;2022-11-30
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