Showing results (1-10 of 19) with videos related to
Sort By:
Pageof 2
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 SokalskiThe Journal of Physical Chemistry. A|January 19, 2013
Reactivity patterns of imidazole, oxazole, and thiazole as reflected by the polarization justified Fukui functionsWiktor Beker, Paweł Szarek, Ludwik Komorowski, et al.Journal of the American Chemical Society|October 22, 2019
Rapid and Accurate Prediction of pKa Values of C-H Acids Using Graph Convolutional Neural NetworksRafał Roszak, Wiktor Beker, Karol Molga, et al.Angewandte Chemie (International Ed. in English)|April 20, 2021
Scaffold-Directed Face Selectivity Machine-Learned from Vectors of Non-covalent InteractionsMartyna Moskal, Wiktor Beker, Sara Szymkuć, et al.Journal of Molecular Modeling|December 24, 2017
Predicting substituent effects on activation energy changes by static catalytic fieldsMartyna Chojnacka, Mikolaj Feliks, Wiktor Beker, et al.Angewandte Chemie (International Ed. in English)|November 7, 2018
Prediction of Major Regio-, Site-, and Diastereoisomers in Diels-Alder Reactions by Using Machine-Learning: The Importance of Physically Meaningful DescriptorsWiktor Beker, Ewa P Gajewska, Tomasz Badowski, et al.Journal of the American Chemical Society|February 20, 2025
Hierarchical Reaction Logic Enables Computational Design of Complex Peptide SynthesesKarol Molga, Wiktor Beker, Rafał Roszak, 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.Pageof 2