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Page 1
Theoretical Model of EphA2-Ephrin A1 Inhibition.
Molecules. 2018 Jul 11;23(7):1688. doi: 10.3390/molecules23071688.
Molecules. 2018.
PMID: 29997324
Free PMC article.
Revisiting the halogen bonding between phosphodiesterase type 5 and its inhibitors.
Jedwabny W, Dyguda-Kazimierowicz E.
Jedwabny W, et al.
J Mol Model. 2019 Jan 7;25(2):29. doi: 10.1007/s00894-018-3897-z.
J Mol Model. 2019.
PMID: 30613843
Free PMC article.
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Synthesis, structural characterization, docking simulation and in vitro antiproliferative activity of the new gold(III) complex with 2-pyridineethanol.
Malik M, Bieńko DC, Komarnicka UK, Kyzioł A, Dryś M, Świtlicka A, Dyguda-Kazimierowicz E, Jedwabny W.
Malik M, et al. Among authors: jedwabny w.
J Inorg Biochem. 2021 Feb;215:111311. doi: 10.1016/j.jinorgbio.2020.111311. Epub 2020 Nov 18.
J Inorg Biochem. 2021.
PMID: 33246642
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Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts.
Jedwabny W, Dyguda-Kazimierowicz E, Pernal K, Szalewicz K, Patkowski K.
Jedwabny W, et al.
J Phys Chem A. 2021 Mar 4;125(8):1787-1799. doi: 10.1021/acs.jpca.0c11347. Epub 2021 Feb 23.
J Phys Chem A. 2021.
PMID: 33620223
Free PMC article.
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Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.
Jedwabny W, Panecka-Hofman J, Dyguda-Kazimierowicz E, Wade RC, Sokalski WA.
Jedwabny W, et al.
J Comput Aided Mol Des. 2017 Aug;31(8):715-728. doi: 10.1007/s10822-017-0035-4. Epub 2017 Jul 7.
J Comput Aided Mol Des. 2017.
PMID: 28688090
Free PMC article.
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Theoretical models of inhibitory activity for inhibitors of protein-protein interactions: targeting menin-mixed lineage leukemia with small molecules.
Jedwabny W, Kłossowski S, Purohit T, Cierpicki T, Grembecka J, Dyguda-Kazimierowicz E.
Jedwabny W, et al.
Medchemcomm. 2017 Dec 1;8(12):2216-2227. doi: 10.1039/c7md00170c. Epub 2017 Sep 12.
Medchemcomm. 2017.
PMID: 29456828
Free PMC article.
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