Title : Using one-step perturbation to predict the effect of changing force-field parameters on the simulated folding equilibrium of a beta-peptide in solution.

Pub. Date : 2010 Oct

PMID : 20652985






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1 Here, we use the one-step perturbation technique to predict the change of the free enthalpy of folding of a beta-peptide in methanol solution due to changing a variety of force-field parameters. Methanol amyloid beta precursor protein Homo sapiens