The choice of atomic charges calculation scheme in 3D-QSAR modelling of GSK-3β inhibition by paullones

Author: Osolodkin D.   Shulga D.   Tsareva D.   Oliferenko A.   Palyulin V.   Zefirov N.  

Publisher: MAIK Nauka/Interperiodica

ISSN: 1607-6729

Source: Doklady Biochemistry & Biophysics, Vol.434, Iss.1, 2010-10, pp. : 274-278

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