Revisiting the halogen bonding between phosphodiesterase type 5 and its inhibitors

por Jedwabny, Wiktoria, Dyguda-Kazimierowicz, Edyta
Publicado 2019

Theoretical Model of EphA2-Ephrin A1 Inhibition

por Jedwabny, Wiktoria, Lodola, Alessio, Dyguda-Kazimierowicz, Edyta
Publicado 2018

Extension of an Atom–Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts

por Jedwabny, Wiktoria, Dyguda-Kazimierowicz, Edyta, Pernal, Katarzyna, Szalewicz, Krzysztof, Patkowski, Konrad
Publicado 2021

Theoretical models of inhibitory activity for inhibitors of protein–protein interactions: targeting menin–mixed lineage leukemia with small molecules

por Jedwabny, Wiktoria, Kłossowski, Szymon, Purohit, Trupta, Cierpicki, Tomasz, Grembecka, Jolanta, Dyguda-Kazimierowicz, Edyta
Publicado 2017

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition

por Jedwabny, Wiktoria, Panecka-Hofman, Joanna, Dyguda-Kazimierowicz, Edyta, Wade, Rebecca C., Sokalski, W. Andrzej
Publicado 2017

Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein–Ligand Complexes

por Pollock, Jonathan, Borkin, Dmitry, Lund, George, Purohit, Trupta, Dyguda-Kazimierowicz, Edyta, Grembecka, Jolanta, Cierpicki, Tomasz
Publicado 2015

Interaction between DNA, Albumin and Apo-Transferrin and Iridium(III) Complexes with Phosphines Derived from Fluoroquinolones as a Potent Anticancer Drug

por Kozieł, Sandra Amanda, Lesiów, Monika Katarzyna, Wojtala, Daria, Dyguda-Kazimierowicz, Edyta, Bieńko, Dariusz, Komarnicka, Urszula Katarzyna
Publicado 2021