Quantifying the Molecular Polarization Response of Liquid Water Interfaces at Heterogeneously Charged Surfaces.
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DOI: 10.1021/acs.jctc.2c01256
Abstract: The hydration shells of proteins mediate interactions, such as small molecule binding, that are vital to their biological function or in some cases their dysfunction. However, even when the structure of a protein is known,… read more here.
Keywords: polarization response; water; response liquid; liquid water ... See more keywords