Dmitry A. Shulga

Quadrupole Correction: From Molecular Electrostatic Potential to Free Energies of Halogen Bonding

O. I. Titov, Dmitry A. Shulga, Vladimir A. Palyulin · Journal of Chemical Theory and Computation · 2018 · 23 citations

Synthesis of novel bridged dinitrogen heterocycles and their evaluation as potential fragments for the design of biologically active compounds

Konstantin V. Kudryavtsev, Dmitry A. Shulga, Vladimir Chupakhin et al. · Tetrahedron · 2014 · 21 citations

Engineering, Heterocyclic, Potential Fragments +7

Asymmetric synthesis and molecular docking study of enantiomerically pure pyrrolidine derivatives with potential antithrombin activity

S. Ayan, Özdemir Doğan, Polina M. Ivantcova et al. · Tetrahedron Asymmetry · 2013 · 18 citations · Full text

Fast tools for calculation of atomic charges well suited for drug design

Dmitry A. Shulga, Alexander A. Oliferenko, Sergey A. Pisarev et al. · SAR and QSAR in environmental research · 2008 · 18 citations

Engineering, Chemical Analysis, Mep Reproduction +22

Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic Core

O. I. Titov, Dmitry A. Shulga, Vladimir A. Palyulin · Molecular Informatics · 2015 · 13 citations