Evaluating the Performance of the ff99SB Force Field Based on NMR Scalar Coupling Data
Open Access
- 1 August 2009
- journal article
- research article
- Published by Elsevier in Biophysical Journal
- Vol. 97 (3) , 853-856
- https://doi.org/10.1016/j.bpj.2009.04.063
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- Starting Structure Dependence of NMR Order Parameters Derived from MD Simulations: Implications for Judging Force-Field QualityBiophysical Journal, 2008
- Are Current Molecular Dynamics Force Fields too Helical?Biophysical Journal, 2008
- Structure and Dynamics of the Aβ21–30 Peptide from the Interplay of NMR Experiments and Molecular SimulationsJournal of the American Chemical Society, 2008
- Comparison of multiple Amber force fields and development of improved protein backbone parametersProteins-Structure Function and Bioinformatics, 2006
- The Unfolded State of the Villin Headpiece Helical Subdomain: Computational Studies of the Role of Locally Stabilized StructureJournal of Molecular Biology, 2006
- Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteinsJournal of Computational Chemistry, 2002
- Replica-exchange molecular dynamics method for protein foldingChemical Physics Letters, 1999
- Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical featuresBiopolymers, 1983
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983