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Journal of Chemical Theory and Computation|April 14, 2020
Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic FieldsWiktor Beker, W Andrzej SokalskiJournal of Molecular Modeling|December 24, 2017
Predicting substituent effects on activation energy changes by static catalytic fieldsMartyna Chojnacka, Mikolaj Feliks, Wiktor Beker, et al.Journal of Chemical Theory and Computation|January 20, 2017
Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase MutantsWiktor Beker, Marc W van der Kamp, Adrian J Mulholland, 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.The Journal of Physical Chemistry. B|November 25, 2014
Physical Nature of Fatty Acid Amide Hydrolase Interactions with Its Inhibitors: Testing a Simple Nonempirical Scoring ModelWiktoria Giedroyć-Piasecka, Edyta Dyguda-Kazimierowicz, Wiktor Beker, et al.The Journal of Physical Chemistry. B|February 4, 2014
Physical nature of intermolecular interactions in [BMIM][PF6] ionic liquidBorys Szefczyk, W Andrzej SokalskiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 28, 2017
Are Various σ-Hole Bonds Steered by the Same Mechanisms?Sławomir J Grabowski, W Andrzej SokalskiJournal of Molecular Modeling|July 15, 2015
Universal short-range ab initio atom-atom potentials for interaction energy contributions with an optimal repulsion functional formJan K Konieczny, W Andrzej SokalskiJournal of Molecular Modeling|March 12, 2008
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylatesBorys Szefczyk, Tadeusz Andruniów, W Andrzej SokalskiThe Journal of Physical Chemistry. B|October 14, 2021
Catalytic Fields as a Tool to Analyze Enzyme Reaction Mechanism Variants and Reaction StepsPaweł Kędzierski, Martyna Moskal, W Andrzej SokalskiPageof 5