Search Results - "Berishvili, Vladimir P"

Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies by Berishvili, Vladimir P, Kuimov, Alexander N, Voronkov, Andrew E, Radchenko, Eugene V, Kumar, Pradeep, Choonara, Yahya E, Pillay, Viness, Kamal, Ahmed, Palyulin, Vladimir A

“…Tankyrase enzymes (TNKS), a core part of the canonical Wnt pathway, are a promising target in the search for potential anti-cancer agents. Although several…”
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Machine Learning Classification Models to Improve the Docking‐based Screening: A Case of PI3K‐Tankyrase Inhibitors by Berishvili, Vladimir P., Voronkov, Andrew E., Radchenko, Eugene V., Palyulin, Vladimir A.

“…One of the major challenges in the current drug discovery is the improvement of the docking‐based virtual screening performance. It is especially important in…”
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Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors by Berishvili, Vladimir P, Perkin, Valentin O, Voronkov, Andrew E, Radchenko, Eugene V, Syed, Riyaz, Venkata Ramana Reddy, Chittireddy, Pillay, Viness, Kumar, Pradeep, Choonara, Yahya E, Kamal, Ahmed, Palyulin, Vladimir A

“…Molecular dynamics simulations provide valuable insights into the behavior of molecular systems. Extending the recent trend of using machine learning…”
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Induced degradation of SNAP-fusion proteins by Pol, Savina Abraham, Liljenberg, Sara, Barr, Jack, Simon, Gina, Wong-Dilworth, Luis, Paterson, Danielle L, Berishvili, Vladimir P, Bottanelli, Francesca, Kaschani, Farnusch, Kaiser, Markus, Pettersson, Mariell, Hellerschmied, Doris

“…Self-labeling protein tags are an efficient means to visualize, manipulate, and isolate engineered fusion proteins with suitable chemical probes. The SNAP-tag,…”
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