Articles with "huge molecular" as a keyword



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A surface site interaction point methodology for macromolecules and huge molecular databases

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Published in 2017 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.24695

Abstract: Determining the position and magnitude of Surface Site Interaction Points (SSIP) is a useful technique for understanding intermolecular interactions. SSIPs have been used for the prediction of solvation properties and for virtual co‐crystal screening. To… read more here.

Keywords: methodology; molecular databases; site interaction; surface site ... See more keywords