Creator | Title | Description | Subject | Date | ||
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1 | Voth, Gregory Alan | Multiscale coarse-graining of the protein energy landscape | A variety of coarse-grained (CG) models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilib... | 2010-06-24 |