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

Proteins: Structure, Function, and Bioinformatics, Vol. 50, No. 3. (15 February 2003), pp. 451-463.

by Hao Hu, Marcus Elstner, Jan Hermans

posted to amino dialanine force-fields by Diego_Prada on 2009-07-26 16:12:40 as

along with 3 people flbarroso paddydu allmensch

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free_energy	116
chapt_cmn	72
networks	66
short-peptides	63
hexapeptide	48
plos	47
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