Dmitry Ivanovich Osolodkin

Ph. D., researcher    /    Россия, Москва

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Structure-Based Virtual Screening of Glycogen Synthase Kinase 3β Inhibitors: Analysis of Scoring Functions Applied to Large True Actives and Decoy Sets

Dmitry I. Osolodkin, Vladimir A. Palyulin, Nikolay S. Zefirov
Comparative assessment of nine different scoring functions (OpenEye and Tripos implementation) applied to structure-based virtual screening based on rigid docking of the pregenerated conformations library of glycogen synthase kinase 3β (GSK-3β) inhibitors has been carried out. The functions...
Volume 78, Issue 3, pages 378–390, September 2011

GAG-binding variants of tick-borne encephalitis virus

L.I. Kozlovskaya, D.I. Osolodkin, A.S. Shevtsova, L.Iu. Romanova, Y.V. Rogova, T.I. Dzhivanian, V.N. Lyapustin, G.P. Pivanova, A.P. Gmyl, V.A. Palyulin and G.G. Karganova
Previously different authors described various flavivirus mutants with high affinity to cell glycosaminoglycans and low neuroinvasiveness in mice that were obtained consequently passages in cell cultures or in ticks. In present study the analysis of TBEV isolates has shown existence of...

Molecular modeling of ligand–receptor interactions in GABAC receptor

Dmitry I. Osolodkin, Vladimir I. Chupakhin, Vladimir A. Palyulin and Nikolay S. Zefirov
A new homology model of the GABA binding site of the GABAC receptor was built. Natural agonist GABA and antagonist TPMPA were docked into the receptor and molecular dynamics simulation of the complexes was performed to clarify binding poses of the ligands. It was shown that orientation of the...
Journal of Molecular Graphics and Modelling Volume 27, Issue 7, April 2009, Pages 813-821
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