Systematic derivation of implicit solvent models for the study of polymer collapse
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DOI: 10.1002/jcc.24754
Abstract: The conformational states adopted by a polymer chain in water are a result of a delicate balance between intra‐molecular and water‐mediated interactions. Using an explicit representation of the solvent is, however, computationally expensive and it… read more here.
Keywords: water; solvent; systematic derivation; derivation implicit ... See more keywords