Lubomír Rulíšek

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 33

Top Topics

Electron Transfer

Silver Nanoparticles

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

Angewandte Chemie (International ed. in English)

Chemistry (Weinheim an der Bergstrasse, Germany)

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Zuzana Osifová, Tadeáš Kalvoda, Jakub Galgonek, Martin Culka, Jiří Vondrášek, Petr Bouř, Lucie Bednarova, Valery Andrushchenko, Martin Dračínský, Lubomír Rulíšek
What are the minimal folding seeds in proteins? Experimental and theoretical assessment of secondary structure propensities of small peptide fragments. Chemical science 15 (2) (2023)
Lukáš Tomaník, Lubomír Rulíšek, Petr Slavíček
Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases. Journal of chemical theory and computation 19 (3) (2023)
Erik Andris, Michal Straka, Jan Vrána, Aleš RůŽička, Jana Roithová, Lubomír Rulíšek
Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors? Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Zuzana Osifová, Tadeáš Kalvoda, Jakub Galgonek, Martin Culka, Jiří Vondrášek, Petr Bouř, Lucie Bednarova, Valery Andrushchenko, Martin Dračínský, Lubomír Rulíšek
What are the minimal folding seeds in proteins? Experimental and theoretical assessment of secondary structure propensities of small peptide fragments. Chemical science 15 (2) (2023)
Lucia Motlová, Ivan Snajdr, Zsófia Kutil, Erik Andris, Jakub Ptáček, Adéla Novotná, Zora Novakova, Barbora Havlínová, Werner Tueckmantel, Helena Dráberová, Pavel Majer, Mike Schutkowski, Alan Kozikowski, Lubomír Rulíšek, Cyril Barinka
Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6). ACS chemical biology (2023)
Lukáš Tomaník, Lubomír Rulíšek, Petr Slavíček
Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases. Journal of chemical theory and computation (2023)
Tadeáš Kalvoda, Martin Culka, Lubomír Rulíšek, Erik Andris
Exhaustive Mapping of the Conformational Space of Natural Dipeptides by the DFT-D3//COSMO-RS Method. The journal of physical chemistry. B 126 (32) (2022)
Daniel Bím, Michal Navrátil, Ondrej Gutten, Jan Konvalinka, Zsófia Kutil, Martin Culka, Václav Navrátil, Anastassia N Alexandrova, Cyril Barinka, Lubomír Rulíšek
Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II. The journal of physical chemistry. B 126 (1) (2022)
Agnieszka Stańczak, Jakub Chalupský, Lubomír Rulíšek, Michal Straka
Comprehensive Theoretical View of the [Cu 2 O 2 ] Side-on-Peroxo-/Bis-μ-Oxo Equilibria. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (14) (2022)
Luca Sauser, Tadeáš Kalvoda, Ayça Kavas, Lubomír Rulíšek, Michal S Shoshan
Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification. ChemMedChem 17 (15) (2022)
Ioannis Kipouros, Agnieszka Stańczak, Jake W Ginsbach, Prokopis C Andrikopoulos, Lubomír Rulíšek, Edward I Solomon
Elucidation of the tyrosinase/O 2 /monophenol ternary intermediate that dictates the monooxygenation mechanism in melanin biosynthesis. Proceedings of the National Academy of Sciences of the United States of America 119 (33) (2022)
Jaya Mehara, Adarsh Koovakattil Surendran, Teun van Wieringen, Deeksha Setia, Cina Foroutan-Nejad, Michal Straka, Lubomír Rulíšek, Jana Roithová
Cationic Gold(II) Complexes: Experimental and Theoretical Study. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (60) (2022)
Ioannis Kipouros, Agnieszka Stańczak, Martin Culka, Erik Andris, Timothy R Machonkin, Lubomír Rulíšek, Edward I Solomon
Evidence for H-bonding interactions to the μ-η 2 :η 2 -peroxide of oxy-tyrosinase that activate its coupled binuclear copper site. Chemical communications (Cambridge, England) 58 (24) (2022)
Miroslav Smola, Ondrej Gutten, Milan Dejmek, Milan Kožíšek, Thomas Evangelidis, Zahra Aliakbar Tehrani, Barbora Novotná, Radim Nencka, Gabriel Birkuš, Lubomír Rulíšek, Evzen Boura
Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. Angewandte Chemie (International ed. in English) 60 (18) (2021)
Martin Culka, Tadeáš Kalvoda, Ondrej Gutten, Lubomír Rulíšek
Mapping Conformational Space of All 8000 Tripeptides by Quantum Chemical Methods: What Strain Is Affordable within Folded Protein Chains? The journal of physical chemistry. B 125 (1) (2021)
Olga Guselnikova, Jiří Váňa, Linh Trinh Phuong, Illia Panov, Lubomír Rulíšek, Andrii Trelin, Pavel S Postnikov, Václav Švorčík, Erik Andris, Oleksiy Lyutakov
Plasmon-assisted click chemistry at low temperature: an inverse temperature effect on the reaction rate. Chemical science 12 (15) (2021)
Barbora Novotná, Lucie Holá, Monika Staś, Ondrej Gutten, Miroslav Smola, Martin Zavřel, Zdeněk Vavřina, Miloš Buděšínský, Radek Liboska, Florian Chevrier, Juraj Dobiaš, Evzen Boura, Lubomír Rulíšek, Gabriel Birkuš
Enzymatic Synthesis of 3'-5', 3'-5' Cyclic Dinucleotides, Their Binding Properties to the Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations. Biochemistry 60 (48) (2021)
Jaroslav Jacko, Monika Staś, Lubomír Rulíšek, Ivana Císařová, Martin Kotora
Ir-Catalyzed Cycloaddition of Tribenzocyclyne with Biphenylenes. The Journal of organic chemistry (2021)
Tagwa A Mohammed, Christoph M Meier, Tadeáš Kalvoda, Martina Kalt, Lubomír Rulíšek, Michal S Shoshan
Potent Cyclic Tetrapeptide for Lead Detoxification. Angewandte Chemie (International ed. in English) 60 (22) (2021)
Luca Sauser, Tagwa A Mohammed, Tadeáš Kalvoda, Sheng-Jan Feng, Bernhard Spingler, Lubomír Rulíšek, Michal S Shoshan
Thiolation and Carboxylation of Glutathione Synergistically Enhance Its Lead-Detoxification Capabilities. Inorganic chemistry (2021)
Zdeněk Vavřina, Ondrej Gutten, Miroslav Smola, Martin Zavřel, Zahra Aliakbar Tehrani, Vilém Charvát, Milan Kožíšek, Evzen Boura, Gabriel Birkuš, Lubomír Rulíšek
Protein-Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory. Biochemistry 60 (8) (2021)
Markéta Pimková Polidarová, Petra Břehová, Martin Maxmilian Kaiser, Miroslav Smola, Martin Dračínský, Joshua Smith, Aleš Marek, Milan Dejmek, Michal Šála, Ondrej Gutten, Lubomír Rulíšek, Barbora Novotná, Andrea Brázdová, Zlatko Janeba, Radim Nencka, Evzen Boura, Ondřej Páv, Gabriel Birkuš
Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3',3'-c-Di(2'F,2'dAMP). Journal of medicinal chemistry 64 (11) (2021)
Oldřich Hudeček, Roberto Benoni, Paul E Reyes-Gutierrez, Martin Culka, Hana Šanderová, Martin Hubálek, Lubomír Rulíšek, Josef Cvačka, Libor Krásný, Hana Cahová
Dinucleoside polyphosphates act as 5'-RNA caps in bacteria. Nature communications 11 (1) (2020)
Erik Andris, Koen Segers, Jaya Mehara, Lubomír Rulíšek, Jana Roithová
Closed Shell Iron(IV) Oxo Complex with an Fe-O Triple Bond: Computational Design, Synthesis, and Reactivity. Angewandte Chemie (International ed. in English) 59 (51) (2020)
Daniel Bím, Jakub Chalupský, Martin Culka, Edward I Solomon, Lubomír Rulíšek, Martin Srnec
Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase. Journal of the American Chemical Society 142 (23) (2020)
Martin Culka, Lubomír Rulíšek
Interplay between Conformational Strain and Intramolecular Interaction in Protein Structures: Which of Them Is Evolutionarily Conserved? The journal of physical chemistry. B 124 (16) (2020)
Zbyněk Brůža, Jiří Kratochvíl, Jeremy N Harvey, Lubomír Rulíšek, Lucie Nováková, Jana Maříková, Jiří Kuneš, Pavel Kočovský, Milan Pour
A New Insight into the Stereoelectronic Control of the Pd0 -Catalyzed Allylic Substitution: Application for the Synthesis of Multisubstituted Pyran-2-ones via an Unusual 1,3-Transposition. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (34) (2019)
Martin Culka, Jakub Galgonek, Jiri Vymetal, Jiri Vondrasek, Lubomír Rulíšek
Toward Ab Initio Protein Folding: Inherent Secondary Structure Propensity of Short Peptides from the Bioinformatics and Quantum-Chemical Perspective. The journal of physical chemistry. B 123 (6) (2019)
Michal Straka, Erik Andris, Jan Vicha, Aleš Růžička, Jana Roithová, Lubomír Rulíšek
Spectroscopic and Computational Evidence of Intramolecular AuI ⋅⋅⋅H+ -N Hydrogen Bonding. Angewandte Chemie (International ed. in English) 58 (7) (2019)
Martin Culka, Lubomír Rulíšek
Factors Stabilizing β-Sheets in Protein Structures from a Quantum-Chemical Perspective. The journal of physical chemistry. B 123 (30) (2019)
Jan Řezáč, Daniel Bím, Ondrej Gutten, Lubomír Rulíšek
Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set. Journal of chemical theory and computation 14 (3) (2018)
Erik Andris, Prokopis C Andrikopoulos, Jiří Schulz, Jan Turek, Aleš Růžička, Jana Roithová, Lubomír Rulíšek
Aurophilic Interactions in [(L)AuCl]...[(L')AuCl] Dimers: Calibration by Experiment and Theory. Journal of the American Chemical Society 140 (6) (2018)
Ondrej Gutten, Daniel Bím, Jan Řezáč, Lubomír Rulíšek
Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology. Journal of chemical information and modeling 58 (1) (2017)