Comprehensive characterization of oligosaccharide conformational ensembles with conformer classification by free-energy landscape <i>via</i> reproductive kernel Hilbert space
نویسندگان
چکیده
A kernel method enables the comprehensive characterization of conformational ensembles oligosaccharides in association with free-energy landscape.
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d0cp06448c