Implementation of a Protein Reduced Point Charge Model toward Molecular Dynamics Applications
Author:
Affiliation:
1. Laboratoire de Physico-Chimie Informatique, Unité de Chimie Physique Théorique et Structurale, University of Namur (FUNDP), Rue de Bruxelles 61, B-5000 Namur, Belgium
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp202708a
Reference52 articles.
1. Multiscale simulations of protein landscapes: Using coarse-grained models as reference potentials to full explicit models
2. Assessing the Quality of the OPEP Coarse-Grained Force Field
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4. Folding energy landscape and network dynamics of small globular proteins
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1. Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science;Biomolecular Simulations in Structure-Based Drug Discovery;2018-12-21
2. Comparison of reduced point charge models of proteins: Molecular Dynamics simulations of Ubiquitin;Science China Chemistry;2014-08-09
3. Evaluation of reduced point charge models of proteins through Molecular Dynamics simulations: Application to the Vps27 UIM-1–Ubiquitin complex;Journal of Molecular Graphics and Modelling;2014-02
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