Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Andrew E. Voronkov"'
Autor:
Vladimir P. Berishvili, Alexander N. Kuimov, Andrew E. Voronkov, Eugene V. Radchenko, Pradeep Kumar, Yahya E. Choonara, Viness Pillay, Ahmed Kamal, Vladimir A. Palyulin
Publikováno v:
Molecules, Vol 25, Iss 14, p 3171 (2020)
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 hundreds of the TNKS inhibitors are currently known, identification of their novel chemotypes
Externí odkaz:
https://doaj.org/article/3df233fb40db4ff69c232b023e6323fa
Autor:
A. N. Kuimov, Vladimir P. Berishvili, Eugene V. Radchenko, Ahmed Kamal, Vladimir A. Palyulin, Viness Pillay, Pradeep Kumar, Yahya E. Choonara, Andrew E Voronkov
Publikováno v:
Molecules, Vol 25, Iss 3171, p 3171 (2020)
Molecules
Volume 25
Issue 14
Molecules
Volume 25
Issue 14
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 hundreds of the TNKS inhibitors are currently known, identification of their novel chemotypes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4add1fad9ba49818627958ba4a4cb526
https://www.mdpi.com/1420-3049/25/14/3171
https://www.mdpi.com/1420-3049/25/14/3171
Autor:
Vladimir P. Berishvili, Ahmed Kamal, Riyaz Syed, Chittireddy Venkata Ramana Reddy, Viness Pillay, Vladimir A. Palyulin, Pradeep Kumar, Yahya E. Choonara, Andrew E Voronkov, Eugene V. Radchenko, Valentin O Perkin
Publikováno v:
Journal of chemical information and modeling. 59(8)
Molecular dynamics simulations provide valuable insights into the behavior of molecular systems. Extending the recent trend of using machine learning techniques to predict physicochemical properties from molecular dynamics data, we propose to conside
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e73f148ff770ad5515d27338284ef5b
https://pubmed.ncbi.nlm.nih.gov/31276400
https://pubmed.ncbi.nlm.nih.gov/31276400
Publikováno v:
Molecular Informatics. 37:1800030
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 the rational design of compounds with desired polypharmacology or selectivity profiles. To
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c84b5cc79e509df2cff7d61de770adbc
https://doi.org/10.1002/minf.201800030
https://doi.org/10.1002/minf.201800030