Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane

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

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

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

Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box

by Chuandong Jia, Wei Zuo, Dong Yang, Yanming Chen, Liping Cao, Radu Custelcean, Jiří Hostaš, Pavel Hobza, Robert Glaser, Yao-Yu Wang, Xiao-Juan Yang, Biao Wu
Published 2017-10-01

Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene

by Bruno de la Torre, Martin Švec, Prokop Hapala, Jesus Redondo, Ondřej Krejčí, Rabindranath Lo, Debashree Manna, Amrit Sarmah, Dana Nachtigallová, Jiří Tuček, Piotr Błoński, Michal Otyepka, Radek Zbořil, Pavel Hobza, Pavel Jelínek
Published 2018-07-01