Validation of an All-Atom Protein Force Field: From Dipeptides to Larger Peptides
- 29 October 2003
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 107 (46) , 12555-12557
- https://doi.org/10.1021/jp0359079
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Folding of a Highly Conserved Diverging Turn Motif from the SH3 DomainBiophysical Journal, 2003
- Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular-dynamics simulationsThe Journal of Chemical Physics, 2002
- α-Helical stabilization by side chain shielding of backbone hydrogen bondsProceedings of the National Academy of Sciences, 2002
- Subpicosecond conformational dynamics of small peptides probed by two-dimensional vibrational spectroscopyProceedings of the National Academy of Sciences, 2001
- An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phaseJournal of Computational Chemistry, 2001
- Structure Determination of Trialanine in Water Using Polarization Sensitive Two-Dimensional Vibrational SpectroscopyThe Journal of Physical Chemistry B, 2000
- Alanine Is an Intrinsic α-Helix Stabilizing Amino AcidJournal of the American Chemical Society, 1999
- All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsThe Journal of Physical Chemistry B, 1998
- Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic LiquidsJournal of the American Chemical Society, 1996
- A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesJournal of the American Chemical Society, 1995