Infrequent metadynamics study of rare-event electrostatic channeling
نویسندگان
چکیده
Using infrequent metadynamics, rare-event electrostatic channeling of glucose-6-phosphate (G6P) is studied on cationic polypeptides. Poly-arginine peptides appear to be more efficient than poly-lysine at electrostatically transferring G6P.
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d1cp01304a