Pandey, Poonam; Aytenfisu, Asaminew H.; MacKerell, Alexander D.; Mallajosyula, Sairam Swaroop
(American Chemical Society, 2019-08)
In this work, we report the development of Drude polarizable force-field parameters for the carboxylate and N-acetyl amine derivatives, extending the functionality of existing Drude polarizable carbohydrate force field. ...