Dihalogen and Pnictogen Bonding in Crystalline Icosahedral Phosphaboranes

by Jindřich Fanfrlík, Drahomír Hnyk
Published 2018-10-01

Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane

by Jindřich Fanfrlík, Drahomír Hnyk, Pavel Hobza
Published 2019-07-01

Reactions of Experimentally Known <i>Closo</i>-C₂B₈H₁₀ with Bases. A Computational Study

by Josef Holub, Jindřich Fanfrlík, Michael L. McKee, Drahomír Hnyk
Published 2020-10-01

Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase

by Jiří Gregor, Kateřina Radilová, Jiří Brynda, Jindřich Fanfrlík, Jan Konvalinka, Milan Kožíšek
Published 2021-02-01

The Interplay between Various σ- and π-Hole Interactions of Trigonal Boron and Trigonal Pyramidal Arsenic Triiodides

by Jindřich Fanfrlík, Petr Švec, Zdeňka Růžičková, Drahomír Hnyk, Aleš Růžička, Pavel Hobza
Published 2017-07-01

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

The Influence of Halogenated Hypercarbon on Crystal Packing in the Series of 1-Ph-2-X-1,2-dicarba-<i>closo</i>-dodecaboranes (X = F, Cl, Br, I)

by Miroslav Havránek, Maksim A. Samsonov, Josef Holub, Zdeňka Růžičková, Ladislav Drož, Aleš Růžička, Jindřich Fanfrlík, Drahomír Hnyk
Published 2020-03-01

Structural and functional studies of phosphoenolpyruvate carboxykinase from Mycobacterium tuberculosis.

by Iva Machová, Jan Snášel, Jiří Dostál, Jiří Brynda, Jindřich Fanfrlík, Mahavir Singh, Ján Tarábek, Ondřej Vaněk, Lucie Bednárová, Iva Pichová
Published 2015-01-01

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

Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes

by Jan Vrána, Josef Holub, Maksim A. Samsonov, Zdeňka Růžičková, Josef Cvačka, Michael L. McKee, Jindřich Fanfrlík, Drahomír Hnyk, Aleš Růžička
Published 2021-08-01

Substrate Specificity, Inhibitor Selectivity and Structure-Function Relationships of Aldo-Keto Reductase 1B15: A Novel Human Retinaldehyde Reductase.

by Joan Giménez-Dejoz, Michal H Kolář, Francesc X Ruiz, Isidro Crespo, Alexandra Cousido-Siah, Alberto Podjarny, Oleg A Barski, Jindřich Fanfrlík, Xavier Parés, Jaume Farrés, Sergio Porté
Published 2015-01-01