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The Journal of Physical Chemistry. B|December 9, 2024
Organophosphate Hydrolysis by a Designed Metalloenzyme: Impact of Mutations ExplainedEdyta Dyguda-Kazimierowicz, Wiktoria JedwabnyJournal of Molecular Modeling|January 8, 2019
Revisiting the halogen bonding between phosphodiesterase type 5 and its inhibitorsWiktoria Jedwabny, Edyta Dyguda-KazimierowiczMolecules (Basel, Switzerland)|July 13, 2018
Theoretical Model of EphA2-Ephrin A1 InhibitionWiktoria Jedwabny, Alessio Lodola, Edyta Dyguda-KazimierowiczJournal of Molecular Modeling|March 27, 2007
Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactionsEdyta Dyguda-Kazimierowicz, W Andrzej Sokalski, Jerzy LeszczyńskiThe Journal of Physical Chemistry. B|June 10, 2014
Alkaline hydrolysis of organophosphorus pesticides: the dependence of the reaction mechanism on the incoming group conformationEdyta Dyguda-Kazimierowicz, Szczepan Roszak, W Andrzej SokalskiThe Journal of Physical Chemistry. B|July 18, 2008
Gas-phase mechanisms of degradation of hazardous organophosphorus compounds: do they follow a common pattern of alkaline hydrolysis reaction as in phosphotriesterase?Edyta Dyguda-Kazimierowicz, W Andrzej Sokalski, Jerzy LeszczynskiJournal of Molecular Modeling|April 13, 2026
Interaction energy decomposition methods: comparison and application to covalent interaction assessmentEdyta Dyguda-Kazimierowicz, Paweł Kędzierski, W Andrzej SokalskiThe Journal of Physical Chemistry. B|August 30, 2008
Physical nature of intermolecular interactions within cAMP-dependent protein kinase active site: differential transition state stabilization in phosphoryl transfer reactionPawel Szarek, Edyta Dyguda-Kazimierowicz, Akitomo Tachibana, et al.The Journal of Physical Chemistry. A|February 23, 2021
Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and BiocatalystsWiktoria Jedwabny, Edyta Dyguda-Kazimierowicz, Katarzyna Pernal, et al.Journal of Computational Chemistry|May 23, 2013
Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distancesWiktor Beker, Karol M Langner, Edyta Dyguda-Kazimierowicz, et al.Pageof 3