Derivation of original RESP atomic partial charges for MD simulations of the LDAO surfactant with AMBER: applications to a model of micelle and a fragment of the lipid kinase PI4KA
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DOI: 10.1080/07391102.2015.1135822
Abstract: In this paper, we describe the derivation and the validation of original RESP atomic partial charges for the N, N-dimethyl-dodecylamine oxide (LDAO) surfactant. These charges, designed to be fully compatible with all the AMBER force… read more here.
Keywords: original resp; ldao surfactant; atomic partial; resp atomic ... See more keywords