Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis

by Jiří Dostál, Jiří Brynda, Lucie Vaňková, Syeda Rehana Zia, Iva Pichová, Olga Heidingsfeld, Martin Lepšík
Published 2021-01-01

Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking

by Haresh Ajani, Adam Pecina, Saltuk M. Eyrilmez, Jindřich Fanfrlík, Susanta Haldar, Jan Řezáč, Pavel Hobza, Martin Lepšík
Published 2017-07-01

Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners

by Jakub Gemperle, Rozálie Hexnerová, Martin Lepšík, Petr Tesina, Michal Dibus, Marian Novotný, Jan Brábek, Václav Veverka, Daniel Rosel
Published 2017-08-01

The Role of Cysteine Residues in Catalysis of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.

by Iva Machová, Martin Hubálek, Martin Lepšík, Lucie Bednárová, Markéta Pazderková, Vladimír Kopecký, Jan Snášel, Jiří Dostál, Iva Pichová
Published 2017-01-01

Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations

by Pavel Mader, Adam Pecina, Petr Cígler, Martin Lepšík, Václav Šícha, Pavel Hobza, Bohumír Grüner, Jindřich Fanfrlík, Jiří Brynda, Pavlína Řezáčová
Published 2014-01-01