0467239 - ÚEB 2017 RIV US eng J - Journal Article
Bazgier, Václav - Berka, K. - Otyepka, M. - Banáš, P.
Exponential Repulsion Improves Structural Predictability of Molecular Docking.
Journal of Computational Chemistry. Roč. 37, č. 28 (2016), s. 2485-2494. ISSN 0192-8651. E-ISSN 1096-987X
Institutional support: RVO:61389030
Keywords : cyclin-dependent kinases * structure-based design * scoring functions * cdk2 inhibitors * force-field * ligand interactions * drug discovery * purine * potent * protein-kinase-2 * molecular docking * dock 6.6 * drug design * cyclin-dependent kinase 2 * directory of decoys
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.229, year: 2016
Permanent Link: http://hdl.handle.net/11104/0265352
Bazgier, Václav - Berka, K. - Otyepka, M. - Banáš, P.
Exponential Repulsion Improves Structural Predictability of Molecular Docking.
Journal of Computational Chemistry. Roč. 37, č. 28 (2016), s. 2485-2494. ISSN 0192-8651. E-ISSN 1096-987X
Institutional support: RVO:61389030
Keywords : cyclin-dependent kinases * structure-based design * scoring functions * cdk2 inhibitors * force-field * ligand interactions * drug discovery * purine * potent * protein-kinase-2 * molecular docking * dock 6.6 * drug design * cyclin-dependent kinase 2 * directory of decoys
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.229, year: 2016
Permanent Link: http://hdl.handle.net/11104/0265352