Intrinsically smooth discretisation of Connolly's solvent-excluded molecular surface
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DOI: 10.1080/00268976.2019.1644384
Abstract: The switching/Gaussia (SWIG) algorithm for intrinsically smooth discretisation of the van der Waals cavity surface, for use in implicit solvation modelling, is extended here to the case of the solvent-excluded surface (SES), also known as… read more here.
Keywords: intrinsically smooth; discretisation; surface; smooth discretisation ... See more keywords