Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Volodymyr O, Tanin"'
Publikováno v:
Chemical Biology & Drug Design. 87:618-625
Automated docking is one of the most important tools for structure-based drug design that allows prediction of ligand binding poses and also provides an estimate of how well small molecules fit in the binding site of a protein. A new scoring function
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48141d6e8b31f8acc950c4ca3148b6b8
https://doi.org/10.1111/cbdd.12697
https://doi.org/10.1111/cbdd.12697
Autor:
Volodymyr O. Tanin, V. Yu. Tanchuk
Publikováno v:
Journal of Organic and Pharmaceutical Chemistry. 13:16-19
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70ae68f6585c9757389080e84565dc59
https://doi.org/10.24959/ophcj.15.862
https://doi.org/10.24959/ophcj.15.862
Publikováno v:
Proceedings of the National Aviation University. 60:87-92
За допомогою докінгу відомих інгібіторів досліджено типові конформації протеїнтирозинфосфатази 1B.Найкращої конформації не виявлено,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3a92164f84bb82d8e8aa9ab9d7093c5
https://doi.org/10.18372/2306-1472.60.7572
https://doi.org/10.18372/2306-1472.60.7572
Publikováno v:
The Ukrainian Biochemical Journal. 85:73-80
Conformations of the catalytic center of protein tyrosine phosphatase 1B (PTP1B) and surrounding loops are known to be important in catalysis and inhibition of the enzyme. There were 98 conformations from 88 PDB files representing PTP1B with differen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cef371212d6401b6868e9d4dce2a53c4
https://doi.org/10.15407/ubj85.05.073
https://doi.org/10.15407/ubj85.05.073
Publikováno v:
Chemical Biology & Drug Design. 80:121-128
Hundred and two binding sites from 91 Protein Data Bank files for protein tyrosine phosphatase 1B with different ligands have been compared. It was found that they can be divided into five clusters. Additional clusters were formed by the unliganded a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0208cae5d385e4288439ac55b9ab0d8
https://doi.org/10.1111/j.1747-0285.2012.01370.x
https://doi.org/10.1111/j.1747-0285.2012.01370.x
Publikováno v:
Current drug discovery technologies. 12(3)
Molecular docking of small molecules in the protein binding sites is the most widely used computational technique in modern structure-based drug discovery. Although accurate prediction of binding modes of small molecules can be achieved in most cases
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60536009fd888fb837c7f2de74925c71
https://pubmed.ncbi.nlm.nih.gov/26302746
https://pubmed.ncbi.nlm.nih.gov/26302746
Publikováno v:
Chemical biologydrug design. 80(1)
Hundred and two binding sites from 91 Protein Data Bank files for protein tyrosine phosphatase 1B with different ligands have been compared. It was found that they can be divided into five clusters. Additional clusters were formed by the unliganded a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::c8f437eb8bd0edbc3ffe83e5fafee2d1
https://pubmed.ncbi.nlm.nih.gov/22404821
https://pubmed.ncbi.nlm.nih.gov/22404821