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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

Ionescu, CM; Geidl, S; Varekova, RS; Koca, J, 2013: Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization Method. JOURNAL OF CHEMICAL INFORMATION AND MODELING 53(10), p. 2548 - 2558, doi: 10.1021/ci400448n