Application of advanced sampling and analysis methods to predict the structure of adsorbed protein on a material surface.
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DOI: 10.1116/1.4983274
Abstract: The use of standard molecular dynamics simulation methods to predict the interactions of a protein with a material surface have the inherent limitations of lacking the ability to determine the most likely conformations and orientations… read more here.
Keywords: methods predict; force field; protein material; material surface ... See more keywords