Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization Method

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Authors: Crina-Maria Ionescu, Stanislav Geidl, Radka Svobodová Vařeková, Jaroslav Koča

Journal title: Journal of Chemical Information and Modeling

Journal number: 15499596

Journal publisher: American Chemical Society

Published year: 2013

Published pages: 2548-2558

DOI identifier: 10.1021/ci400448n

ISSN: 1549-9596