Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol-Reference-Cited by-同舟云学术

Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol

Published:2012-05-30 Issue:24 Volume:33 Page:1907-1917
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Horta Bruno A. C.,Lin Zhixiong,Huang Wei,Riniker Sereina,van Gunsteren Wilfred F.,Hünenberger Philippe H.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23021/fullpdf

Reference52 articles.

1. A new GROMOS force field for hexopyranose-based carbohydrates

2. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6

3. New Interaction Parameters for Oxygen Compounds in the GROMOS Force Field: Improved Pure-Liquid and Solvation Properties for Alcohols, Ethers, Aldehydes, Ketones, Carboxylic Acids, and Esters

4. Ab Initio and Empirical Model MD Simulation Studies of Solvent Effects on the Properties of N-Methylacetamide along a cis−trans Isomerization Pathway

5. Re-Evaluation of the Reported Experimental Values of the Heat of Vaporization of N-Methylacetamide

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