Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data
- 1 July 2010
- journal article
- research article
- Published by Elsevier in Biophysical Journal
- Vol. 99 (2) , 647-655
- https://doi.org/10.1016/j.bpj.2010.04.062
Abstract
No abstract availableKeywords
This publication has 48 references indexed in Scilit:
- Toward a Unified Representation of Protein Structural Dynamics in SolutionJournal of the American Chemical Society, 2009
- Common Structural Transitions in Explicit-Solvent Simulations of Villin Headpiece FoldingBiophysical Journal, 2009
- Evaluating the Performance of the ff99SB Force Field Based on NMR Scalar Coupling DataBiophysical Journal, 2009
- Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of ProteinsThe Journal of Physical Chemistry B, 2008
- Comparison of multiple Amber force fields and development of improved protein backbone parametersProteins-Structure Function and Bioinformatics, 2006
- Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulationsJournal of Computational Chemistry, 2004
- A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculationsJournal of Computational Chemistry, 2003
- An Orientation-dependent Hydrogen Bonding Potential Improves Prediction of Specificity and Structure for Proteins and Protein–Protein ComplexesJournal of Molecular Biology, 2003
- All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsThe Journal of Physical Chemistry B, 1998
- Essential dynamics of proteinsProteins-Structure Function and Bioinformatics, 1993