Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity
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DOI: 10.1021/acs.jctc.1c00408
Abstract: Five peptides previously suggested to possess polyproline II (PPII) structure have here been investigated by using atomistic molecular dynamics simulations to compare how well four different force fields known for simulating intrinsically disordered proteins relatively… read more here.
Keywords: force field; field effects; force; force fields ... See more keywords