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- 1.0523373 - ÚOCHB 2021 RIV GB eng J - Journal Article
Köprülüoglu, Cemal - Dejmek, Milan - Šála, Michal - Ajani, Haresh - Hřebabecký, Hubert - Fanfrlík, Jindřich - Jorda, Radek - Dračínský, Martin - Procházková, Eliška - Šácha, Pavel - Kryštof, Vladimír - Hobza, Pavel - Lepšík, Martin - Nencka, Radim
Optimization of norbornyl-based carbocyclic nucleoside analogs as cyclin-dependent kinase 2 inhibitors.
Journal of Molecular Recognition. Roč. 33, č. 8 (2020), č. článku e2842. ISSN 0952-3499. E-ISSN 1099-1352
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963 ; RVO:61389030
Keywords : ATP-competitive type I inhibitors * cyclin-dependent kinase 2 * protein-ligand binding * quantum mechanical scoring
OECD category: Physical chemistry
Impact factor: 2.137, year: 2020
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/abs/10.1002/jmr.2842
Permanent Link: http://hdl.handle.net/11104/0307732 - 2.0475922 - ÚOCHB 2018 RIV FR eng J - Journal Article
Hylsová, M. - Carbain, B. - Fanfrlík, Jindřich - Musilová, L. - Haldar, Susanta - Köprülüoglu, Cemal - Ajani, Haresh - Brahmkshatriya, Pathik - Jorda, Radek - Kryštof, Vladimír - Hobza, Pavel - Echalier, A. - Paruch, K. - Lepšík, Martin
Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
European Journal of Medicinal Chemistry. Roč. 126, Jan 27 (2017), s. 1118-1128. ISSN 0223-5234. E-ISSN 1768-3254
R&D Projects: GA ČR(CZ) GA15-15264S; GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963 ; RVO:61389030
Keywords : cyclin-dependent kinase 2 * ATP-competitive type I inhibitors * pyrazolo[1,5-a]pyrimidine * quantum mechanical scoring * protein-ligand binding * molecular dynamics
OECD category: Organic chemistry
Impact factor: 4.816, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272505File Download Size Commentary Version Access 2017_Hylsova_EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY_1118.pdf 1 1.7 MB Other open-access