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Publications by Andrew E. Voronkov

8 publications found

Original articles

Berishvili VP, Kuimov AN, Voronkov AE, Radchenko EV, Kumar P, Choonara YE, Pillay V, Kamal A, Palyulin VA (2020)
Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies
Molecules, 25 (14)
DOI 10.3390/molecules25143171, PubMed 32664504

Berishvili VP, Perkin VO, Voronkov AE, Radchenko EV, Syed R, Venkata Ramana Reddy C, Pillay V, Kumar P, Choonara YE, Kamal A, Palyulin VA (2019)
Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors
J Chem Inf Model, 59 (8), 3519-3532
DOI 10.1021/acs.jcim.9b00135, PubMed 31276400

Berishvili VP, Voronkov AE, Radchenko EV, Palyulin VA (2018)
Machine Learning Classification Models to Improve the Docking-based Screening: A Case of PI3K-Tankyrase Inhibitors
Mol Inform, 37 (11), e1800030
DOI 10.1002/minf.201800030, PubMed 29901257

Voronkov AE, Baskin II, Palyulin VA, Zefirov NS (2008)
Molecular model of the Wnt protein binding site on the surface of dimeric CRD domain of the hFzd8 receptor
Dokl Biochem Biophys, 419, 75-8
DOI 10.1134/s1607672908020087, PubMed 18505162

Voronkov AE, Baskin II, Palyulin VA, Zefirov NS (2007)
Molecular modeling of modified peptides, potent inhibitors of the xWNT8 and hWNT8 proteins
J Mol Graph Model, 26 (7), 1179-87
DOI 10.1016/j.jmgm.2007.10.009, PubMed 18296089

Voronkov AE, Baskin II, Palyulin VA, Zefirov NS (2007)
Molecular modeling of the complex between the xWNT8 protein and the CRD domain of the mFZD8 receptor
Dokl Biochem Biophys, 412, 8-11
DOI 10.1134/s1607672907010036, PubMed 17506343

Voronkov AE, Ivanov AA, Baskin II, Palyulin VA, Zefirov NS (2005)
Molecular modeling study of the mechanism of ligand binding to human melatonin receptors
Dokl Biochem Biophys, 403, 284-8
DOI 10.1007/s10628-005-0093-8, PubMed 16229143

Ivanov AA, Voronkov AE, Baskin II, Palyulin VA, Zefirov NS (2004)
The study of the mechanism of binding of human ML1A melatonin receptor ligands using molecular modeling
Dokl Biochem Biophys, 394, 49-52
DOI 10.1023/b:dobi.0000017154.54595.0e, PubMed 15116569