Molecular Dynamics Simulations of 441 Two-Residue Peptides in Aqueous Solution: Conformational Preferences and Neighboring Residue Effects with the Amber ff99SB-ildn-NMR Force Field
Author:
Affiliation:
1. Department of Biochemistry, University of Iowa, Iowa City, Iowa 52242, United States
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5010966
Reference76 articles.
1. Molecular dynamics simulations of biomolecules
2. Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data
3. Are Current Molecular Dynamics Force Fields too Helical?
4. Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements
5. Structure and Dynamics of the Homologous Series of Alanine Peptides: A Joint Molecular Dynamics/NMR Study
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