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.

Source:http://linkedlifedata.com/resource/pubmed/id/12557187

Proteins 2003 Feb 15 50 3 451-63

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PMID
12557187