V. Berishvili

Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies

A. E. Voronkov, V. A. Palyulin, V. Pillay, 2020, Molecules.

Design and Synthesis of N-Arylphthalimides as Inhibitors of Glucocorticoid-Induced TNF Receptor-Related Protein, Proinflammatory Mediators, and Cytokines in Carrageenan-Induced Lung Inflammation.

A. Nadeem, H. Korashy, M. Al-Omar, 2015, Journal of medicinal chemistry.

Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX) inhibitors.

Ghada S. Hassan, E. Zarie, N. Morsy, 2018, Bioorganic & medicinal chemistry letters.

Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or COX-2 inhibitors.

Ghada S. Hassan, E. Zarie, H. Abdel‐Aziz, 2018, Bioorganic chemistry.

Analysis of Chemical Spaces: Implications for Drug Repurposing

Vladimir A. Palyulin, Eugene V. Radchenko, Dmitry I. Osolodkin, 2019, In Silico Drug Design.

Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors

Pradeep Kumar, Viness Pillay, Ahmed Kamal, 2019, J. Chem. Inf. Model..

Machine Learning Classification Models to Improve the Docking‐based Screening: A Case of PI3K‐Tankyrase Inhibitors

Vladimir A Palyulin, Vladimir P Berishvili, Andrew E Voronkov, 2018, Molecular informatics.