Lubomír Rulíšek

Affiliations

Gilead Sciences Research Centre at IOCB, Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo náměstí 2, 16610, Prague, Czech Republic.

Publications (39)

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)

Avec: Miroslav Smola , Ondrej Gutten , Milan Dejmek , Milan Kožíšek , Thomas Evangelidis , Zahra Aliakbar Tehrani , Barbora Novotná , Radim Nencka , Gabriel Birkuš , Lubomír Rulíšek , Evzen Boura

Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification.

ChemMedChem

Avec: Luca Sauser , Tadeáš Kalvoda , Ayça Kavas , Lubomír Rulíšek , Michal S Shoshan

Ir-Catalyzed Cycloaddition of Tribenzocyclyne with Biphenylenes.

The Journal of organic chemistry

Avec: Jaroslav Jacko , Monika Staś , Lubomír Rulíšek , Ivana Císařová , Martin Kotora

Evidence for H-bonding interactions to the μ-η

Chemical communications (Cambridge, England)

Avec: Ioannis Kipouros , Agnieszka Stańczak , Martin Culka , Erik Andris , Timothy R Machonkin , Lubomír Rulíšek , Edward I Solomon

Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.

ACS infectious diseases

Avec: Nicole L Inniss , Ján Kozic , Fengling Li , Monica Rosas-Lemus , George Minasov , Jiří Rybáček , Yingjie Zhu , Radek Pohl , Ludmilla Shuvalova , Lubomír Rulíšek , Joseph S Brunzelle , Lucie Bednárová , Milan Štefek , Ján Michael Kormaník , Erik Andris , Jaroslav Šebestík , Alice Shi Ming Li , Peter J Brown , Uli Schmitz , Kumar Saikatendu , Edcon Chang , Radim Nencka , Masoud Vedadi , Karla J F Satchell

Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods.

The Journal of chemical physics

Avec: Tadeáš Kalvoda , Tomas Martinek , Pavel Jungwirth , Lubomír Rulíšek

Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.

Bioorganic & medicinal chemistry

Avec: Cyril Barinka , Zora Novakova , Niyada Hin , Daniel Bím , Dana V Ferraris , Bridget Duvall , Gabriel Kabarriti , Reiji Tsukamoto , Milos Budesinsky , Lucia Motlova , Camilo Rojas , Barbara S Slusher , Tibor András Rokob , Lubomír Rulíšek , Takashi Tsukamoto

Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ

Journal of the American Chemical Society

Avec: Daniel Bím , Jakub Chalupský , Martin Culka , Edward I Solomon , Lubomír Rulíšek , Martin Srnec

Thiolation and Carboxylation of Glutathione Synergistically Enhance Its Lead-Detoxification Capabilities.

Inorganic chemistry

Avec: Luca Sauser , Tagwa A Mohammed , Tadeáš Kalvoda , Sheng-Jan Feng , Bernhard Spingler , Lubomír Rulíšek , Michal S Shoshan

Comprehensive Theoretical View of the [Cu

Chemphyschem : a European journal of chemical physics and physical chemistry

Avec: Agnieszka Stańczak , Jakub Chalupský , Lubomír Rulíšek , Michal Straka

Quantum Bio-Inorganic Chemistry (QBIC) Society Special Collection.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Lubomír Rulíšek , Maja Gruden , Maylis Orio , Robert J Deeth

Cationic Gold(II) Complexes: Experimental and Theoretical Study.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Jaya Mehara , Adarsh Koovakattil Surendran , Teun van Wieringen , Deeksha Setia , Cina Foroutan-Nejad , Michal Straka , Lubomír Rulíšek , Jana Roithová

Factors Stabilizing β-Sheets in Protein Structures from a Quantum-Chemical Perspective.

The journal of physical chemistry. B

Avec: Martin Culka , Lubomír Rulíšek

Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.

Journal of medicinal chemistry

Avec: Barbora Novotná , Lenka Vaneková , Martin Zavřel , Miloš Buděšínský , Milan Dejmek , Miroslav Smola , Ondrej Gutten , Zahra Aliakbar Tehrani , Markéta Pimková Polidarová , Andrea Brázdová , Radek Liboska , Ivan Štěpánek , Zdeněk Vavřina , Tomáš Jandušík , Radim Nencka , Lubomír Rulíšek , Evžen Bouřa , Jiří Brynda , Ondřej Páv , Gabriel Birkuš

Potent Cyclic Tetrapeptide for Lead Detoxification.

Angewandte Chemie (International ed. in English)

Avec: Tagwa A Mohammed , Christoph M Meier , Tadeáš Kalvoda , Martina Kalt , Lubomír Rulíšek , Michal S Shoshan

Protein-Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory.

Biochemistry

Avec: Zdeněk Vavřina , Ondrej Gutten , Miroslav Smola , Martin Zavřel , Zahra Aliakbar Tehrani , Vilém Charvát , Milan Kožíšek , Evzen Boura , Gabriel Birkuš , 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

Avec: Daniel Bím , Michal Navrátil , Ondrej Gutten , Jan Konvalinka , Zsófia Kutil , Martin Culka , Václav Navrátil , Anastassia N Alexandrova , Cyril Bařinka , Lubomír Rulíšek

Experimental Evidence and Mechanistic Description of the Phenolic H-Transfer to the Cu

Journal of the American Chemical Society

Avec: Ioannis Kipouros , Agnieszka Stańczak , Eleanor M Dunietz , Jake W Ginsbach , Martin Srnec , Lubomír Rulíšek , Edward I Solomon

What are the minimal folding seeds in proteins? Experimental and theoretical assessment of secondary structure propensities of small peptide fragments.

Chemical science

Avec: Zuzana Osifová , Tadeáš Kalvoda , Jakub Galgonek , Martin Culka , Jiří Vondrášek , Petr Bouř , Lucie Bednárová , Valery Andrushchenko , Martin Dračínský , Lubomír Rulíšek

Interplay between Conformational Strain and Intramolecular Interaction in Protein Structures: Which of Them Is Evolutionarily Conserved?

The journal of physical chemistry. B

Avec: Martin Culka , Lubomír Rulíšek

A New Insight into the Stereoelectronic Control of the Pd

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Zbyněk Brůža , Jiří Kratochvíl , Jeremy N Harvey , Lubomír Rulíšek , Lucie Nováková , Jana Maříková , Jiří Kuneš , Pavel Kočovský , Milan Pour

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

Avec: Martin Culka , Jakub Galgonek , Jiří Vymětal , Jiří Vondrášek , Lubomír Rulíšek

Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments.

Physical chemistry chemical physics : PCCP

Avec: Ondrej Gutten , Petr Jurečka , Zahra Aliakbar Tehrani , Miloš Buděšínský , Jan Řezáč , Lubomír Rulíšek

Molecular dynamics simulations provide structural insight into binding of cyclic dinucleotides to human STING protein.

Journal of biomolecular structure & dynamics

Avec: Zahra Aliakbar Tehrani , Lubomír Rulíšek , Jiří Černý

Acidity constants and protonation sites of cyclic dinucleotides determined by capillary electrophoresis, quantum chemical calculations, and NMR spectroscopy.

Electrophoresis

Avec: Sille Štěpánová , Erik Andris , Ondrej Gutten , Miloš Buděšínský , Milan Dejmek , Petra Břehová , Lubomír Rulíšek , Václav Kašička

Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases.

Journal of chemical theory and computation

Avec: Lukáš Tomaník , Lubomír Rulíšek , Petr Slavíček

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

Avec: Martin Culka , Tadeáš Kalvoda , Ondrej Gutten , Lubomír Rulíšek

Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Javier Ajenjo , Blanka Klepetářová , Martin Greenhall , Daniel Bím , Martin Culka , Lubomír Rulíšek , Petr Beier

Spectroscopic and Computational Evidence of Intramolecular Au

Angewandte Chemie (International ed. in English)

Avec: Michal Straka , Erik Andris , Jan Vícha , Aleš Růžička , Jana Roithová , Lubomír Rulíšek

Dinucleoside polyphosphates act as 5'-RNA caps in bacteria.

Nature communications

Avec: Oldřich Hudeček , Roberto Benoni , Paul E Reyes-Gutierrez , Martin Culka , Hana Šanderová , Martin Hubálek , Lubomír Rulíšek , Josef Cvačka , Libor Krásný , Hana Cahová

Plasmon-assisted click chemistry at low temperature: an inverse temperature effect on the reaction rate.

Chemical science

Avec: Olga Guselnikova , Jiří Váňa , Linh Trinh Phuong , Illia Panov , Lubomír Rulíšek , Andrii Trelin , Pavel Postnikov , Václav Švorčík , Erik Andris , Oleksiy Lyutakov

Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3',3'-c-Di(2'F,2'dAMP).

Journal of medicinal chemistry

Avec: 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

Closed Shell Iron(IV) Oxo Complex with an Fe-O Triple Bond: Computational Design, Synthesis, and Reactivity.

Angewandte Chemie (International ed. in English)

Avec: Erik Andris , Koen Segers , Jaya Mehara , Lubomír Rulíšek , Jana Roithová

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

Avec: 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

Understanding desaturation/hydroxylation activity of castor stearoyl Δ

Computational and structural biotechnology journal

Avec: Michal Tupec , Martin Culka , Aleš Machara , Stanislav Macháček , Daniel Bím , Aleš Svatoš , Lubomír Rulíšek , Iva Pichová

Elucidation of the tyrosinase/O

Proceedings of the National Academy of Sciences of the United States of America

Avec: Ioannis Kipouros , Agnieszka Stańczak , Jake W Ginsbach , Prokopis C Andrikopoulos , Lubomír Rulíšek , Edward I Solomon

Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors?

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Erik Andris , Michal Straka , Jan Vrána , Aleš Růžička , Jana Roithová , Lubomír Rulíšek

Exhaustive Mapping of the Conformational Space of Natural Dipeptides by the DFT-D3//COSMO-RS Method.

The journal of physical chemistry. B

Avec: Tadeáš Kalvoda , Martin Culka , Lubomír Rulíšek , Erik Andris

Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).

ACS chemical biology

Avec: Lucia Motlová , Ivan Šnajdr , Zsófia Kutil , Erik Andris , Jakub Ptáček , Adéla Novotná , Zora Nováková , Barbora Havlínová , Werner Tueckmantel , Helena Dráberová , Pavel Majer , Mike Schutkowski , Alan Kozikowski , Lubomír Rulíšek , Cyril Bařinka

Réseau de co-auteurs

Martin Culka 12 collaborations

Ondrej Gutten 9 collaborations

Erik Andris 9 collaborations

Tadeáš Kalvoda 7 collaborations

Miroslav Smola 5 collaborations

Zahra Aliakbar Tehrani 5 collaborations

Gabriel Birkuš 5 collaborations

Daniel Bím 5 collaborations

Milan Dejmek 4 collaborations

Barbora Novotná 4 collaborations

Radim Nencka 4 collaborations

Evzen Boura 4 collaborations

Agnieszka Stańczak 4 collaborations

Edward I Solomon 4 collaborations

Michal Straka 4 collaborations

Jana Roithová 4 collaborations

Miloš Buděšínský 4 collaborations

Michal S Shoshan 3 collaborations

Ioannis Kipouros 3 collaborations

Martin Zavřel 3 collaborations

Zdeněk Vavřina 3 collaborations

Milan Kožíšek 2 collaborations

Luca Sauser 2 collaborations

Monika Staś 2 collaborations

Lucie Bednárová 2 collaborations

Jakub Chalupský 2 collaborations

Martin Srnec 2 collaborations

Tagwa A Mohammed 2 collaborations

Jaya Mehara 2 collaborations

Markéta Pimková Polidarová 2 collaborations

Andrea Brázdová 2 collaborations

Radek Liboska 2 collaborations

Ondřej Páv 2 collaborations

Zsófia Kutil 2 collaborations

Cyril Bařinka 2 collaborations

Jake W Ginsbach 2 collaborations

Jakub Galgonek 2 collaborations

Jiří Vondrášek 2 collaborations

Martin Dračínský 2 collaborations

Petra Břehová 2 collaborations

Aleš Růžička 2 collaborations

Thomas Evangelidis 1 collaboration

Ayça Kavas 1 collaboration

Jaroslav Jacko 1 collaboration

Ivana Císařová 1 collaboration

Martin Kotora 1 collaboration

Timothy R Machonkin 1 collaboration

Nicole L Inniss 1 collaboration

Ján Kozic 1 collaboration

Fengling Li 1 collaboration

Monica Rosas-Lemus 1 collaboration

George Minasov 1 collaboration

Jiří Rybáček 1 collaboration

Yingjie Zhu 1 collaboration

Radek Pohl 1 collaboration

Ludmilla Shuvalova 1 collaboration

Joseph S Brunzelle 1 collaboration

Milan Štefek 1 collaboration

Ján Michael Kormaník 1 collaboration

Jaroslav Šebestík 1 collaboration

Alice Shi Ming Li 1 collaboration

Peter J Brown 1 collaboration

Uli Schmitz 1 collaboration

Kumar Saikatendu 1 collaboration

Edcon Chang 1 collaboration

Masoud Vedadi 1 collaboration

Karla J F Satchell 1 collaboration

Tomas Martinek 1 collaboration

Pavel Jungwirth 1 collaboration

Cyril Barinka 1 collaboration

Zora Novakova 1 collaboration

Niyada Hin 1 collaboration

Dana V Ferraris 1 collaboration

Bridget Duvall 1 collaboration

Gabriel Kabarriti 1 collaboration

Reiji Tsukamoto 1 collaboration

Milos Budesinsky 1 collaboration

Lucia Motlova 1 collaboration

Camilo Rojas 1 collaboration

Barbara S Slusher 1 collaboration

Tibor András Rokob 1 collaboration

Takashi Tsukamoto 1 collaboration

Sheng-Jan Feng 1 collaboration

Bernhard Spingler 1 collaboration

Maja Gruden 1 collaboration

Maylis Orio 1 collaboration

Robert J Deeth 1 collaboration

Adarsh Koovakattil Surendran 1 collaboration

Teun van Wieringen 1 collaboration

Deeksha Setia 1 collaboration

Cina Foroutan-Nejad 1 collaboration

Lenka Vaneková 1 collaboration

Ivan Štěpánek 1 collaboration

Tomáš Jandušík 1 collaboration

Evžen Bouřa 1 collaboration

Jiří Brynda 1 collaboration

Christoph M Meier 1 collaboration

Martina Kalt 1 collaboration

Vilém Charvát 1 collaboration

Michal Navrátil 1 collaboration

Jan Konvalinka 1 collaboration

Václav Navrátil 1 collaboration

Anastassia N Alexandrova 1 collaboration

Eleanor M Dunietz 1 collaboration

Zuzana Osifová 1 collaboration

Petr Bouř 1 collaboration

Valery Andrushchenko 1 collaboration

Zbyněk Brůža 1 collaboration

Jiří Kratochvíl 1 collaboration

Jeremy N Harvey 1 collaboration

Lucie Nováková 1 collaboration

Jana Maříková 1 collaboration

Jiří Kuneš 1 collaboration

Pavel Kočovský 1 collaboration

Milan Pour 1 collaboration

Jiří Vymětal 1 collaboration

Petr Jurečka 1 collaboration

Jan Řezáč 1 collaboration

Jiří Černý 1 collaboration

Sille Štěpánová 1 collaboration

Václav Kašička 1 collaboration

Lukáš Tomaník 1 collaboration

Petr Slavíček 1 collaboration

Javier Ajenjo 1 collaboration

Blanka Klepetářová 1 collaboration

Martin Greenhall 1 collaboration

Petr Beier 1 collaboration

Jan Vícha 1 collaboration

Oldřich Hudeček 1 collaboration

Roberto Benoni 1 collaboration

Paul E Reyes-Gutierrez 1 collaboration

Hana Šanderová 1 collaboration

Martin Hubálek 1 collaboration

Josef Cvačka 1 collaboration

Libor Krásný 1 collaboration

Hana Cahová 1 collaboration

Olga Guselnikova 1 collaboration

Jiří Váňa 1 collaboration

Linh Trinh Phuong 1 collaboration

Illia Panov 1 collaboration

Andrii Trelin 1 collaboration

Pavel Postnikov 1 collaboration

Václav Švorčík 1 collaboration

Oleksiy Lyutakov 1 collaboration

Martin Maxmilian Kaiser 1 collaboration

Joshua Smith 1 collaboration

Aleš Marek 1 collaboration

Michal Šála 1 collaboration

Zlatko Janeba 1 collaboration

Koen Segers 1 collaboration

Lucie Holá 1 collaboration

Florian Chevrier 1 collaboration

Juraj Dobiaš 1 collaboration

Michal Tupec 1 collaboration

Aleš Machara 1 collaboration

Stanislav Macháček 1 collaboration

Aleš Svatoš 1 collaboration

Iva Pichová 1 collaboration

Prokopis C Andrikopoulos 1 collaboration

Jan Vrána 1 collaboration

Lucia Motlová 1 collaboration

Ivan Šnajdr 1 collaboration

Jakub Ptáček 1 collaboration

Adéla Novotná 1 collaboration

Zora Nováková 1 collaboration

Barbora Havlínová 1 collaboration

Werner Tueckmantel 1 collaboration

Helena Dráberová 1 collaboration

Pavel Majer 1 collaboration

Mike Schutkowski 1 collaboration

Alan Kozikowski 1 collaboration