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Exponential Repulsion Improves Structural Predictability of Molecular Docking
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SYSNO 0467239 Title Exponential Repulsion Improves Structural Predictability of Molecular Docking Author(s) Bazgier, Václav (UEB-Q) ORCID, RID
Berka, K. (CZ)
Otyepka, M. (CZ)
Banáš, P. (CZ)Corespondence/senior Banáš, P. - Korespondující autor Source Title Journal of Computational Chemistry. Roč. 37, č. 28 (2016), s. 2485-2494. - : Wiley Document Type Článek v odborném periodiku Institutional support UEB-Q - RVO:61389030 Language eng Country US 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 Permanent Link http://hdl.handle.net/11104/0265352 File Download Size Commentary Version Access 2016_Bazgier_JOURNAL OF COMPUTATIONAL CHEMISTRY_2485.pdf 0 445.8 KB Other open-access
Number of the records: 1