Košík

0475922 - ÚOCHB 2018 RIV FR eng J - Článek v odborném periodiku
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
Grant CEP: GA ČR(CZ) GA15-15264S; GA ČR(CZ) GBP208/12/G016
Institucionální podpora: RVO:61388963 ; RVO:61389030
Klíčová slova: cyclin-dependent kinase 2 * ATP-competitive type I inhibitors * pyrazolo[1,5-a]pyrimidine * quantum mechanical scoring * protein-ligand binding * molecular dynamics
Obor OECD: Organic chemistry
Impakt faktor: 4.816, rok: 2017
Trvalý link: http://hdl.handle.net/11104/0272505