Sensitivity of Folding Molecular Dynamics Simulations to Even Minor Force Field Changes
Author:
Affiliation:
1. Department of Molecular Biology and Genetics, Democritus University of Thrace, University campus, 68100 Alexandroupolis, Greece
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.6b00493
Reference36 articles.
1. Atomic-Level Characterization of the Structural Dynamics of Proteins
2. Validation of an All-Atom Protein Force Field: From Dipeptides to Larger Peptides
3. A molecular dynamics simulation of polyalanine: An analysis of equilibrium motions and helix-coil transitions
4. Helix-coil transition of alanine peptides in water: Force field dependence on the folded and unfolded structures
5. Secondary Structure Propensities in Peptide Folding Simulations: A Systematic Comparison of Molecular Mechanics Interaction Schemes
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