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Medchemcomm|February 20, 2018
Theoretical models of inhibitory activity for inhibitors of protein-protein interactions: targeting menin-mixed lineage leukemia with small moleculesWiktoria Jedwabny, Szymon Kłossowski, Trupta Purohit, et al.Journal of Computer-Aided Molecular Design|July 9, 2017
Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibitionWiktoria Jedwabny, Joanna Panecka-Hofman, Edyta Dyguda-Kazimierowicz, et al.Journal of Molecular Modeling|June 26, 2007
The molecular basis of urokinase inhibition: from the nonempirical analysis of intermolecular interactions to the prediction of binding affinityRenata Grzywa, Edyta Dyguda-Kazimierowicz, Marcin Sieńczyk, 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.Journal of Medicinal Chemistry|August 20, 2015
Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand ComplexesJonathan Pollock, Dmitry Borkin, George Lund, et al.Pharmaceuticals (Basel, Switzerland)|August 6, 2021
Interaction between DNA, Albumin and Apo-Transferrin and Iridium(III) Complexes with Phosphines Derived from Fluoroquinolones as a Potent Anticancer DrugSandra Amanda Kozieł, Monika Katarzyna Lesiów, Daria Wojtala, et al.Journal of Inorganic Biochemistry|November 28, 2020
Synthesis, structural characterization, docking simulation and in vitro antiproliferative activity of the new gold(III) complex with 2-pyridineethanolMagdalena Malik, Dariusz C Bieńko, Urszula K Komarnicka, et al.The Journal of Physical Chemistry. B|May 10, 2013
Nonempirical energetic analysis of reactivity and covalent inhibition of fatty acid amide hydrolaseEwa I Chudyk, Edyta Dyguda-Kazimierowicz, Karol M Langner, et al.Chemical Communications (Cambridge, England)|January 18, 2011
Understanding the role of carbamate reactivity in fatty acid amide hydrolase inhibition by QM/MM mechanistic modellingAlessio Lodola, Luigi Capoferri, Silvia Rivara, et al.Journal of Medicinal Chemistry|February 15, 2018
Exploiting the S4-S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling AnalysisCarla Guarino, Natalia Gruba, Renata Grzywa, et al.Pageof 3