Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine “dipeptides” (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution-Reference-Cited by-同舟云学术

Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine “dipeptides” (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution

Published:2003-01-10 Issue:3 Volume:50 Page:451-463
ISSN:0887-3585
Container-title:Proteins: Structure, Function, and Bioinformatics
language:en
Short-container-title:Proteins

Author:

Hu Hao,Elstner Marcus,Hermans Jan

Publisher

Wiley

Subject

Molecular Biology,Biochemistry,Structural Biology

Reference65 articles.

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