Discrete Molecular Dynamics Approach to the Study of Disordered and Aggregating Proteins.
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DOI: 10.1021/acs.jctc.6b01153
Abstract: We present a refinement of the Coarse Grained PACSAB force field for Discrete Molecular Dynamics (DMD) simulations of proteins in aqueous conditions. As the original version, the refined method provides good representation of the structure… read more here.
Keywords: disordered aggregating; molecular dynamics; dynamics approach; study disordered ... See more keywords