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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
Hao Hu, Marcus Elstner, Jan HermansVolume:
50
Year:
2003
Language:
english
Pages:
13
DOI:
10.1002/prot.10279
File:
PDF, 610 KB
english, 2003