L. Rulíšek

发表

Dinucleoside polyphosphates act as 5′-RNA caps in bacteria

H. Šanderová, L. Krásný, M. Hubálek, 2020, Nature Communications.

Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants.

Lubomír Rulísek, Jana Pokorná, Jenelle Bray, 2007, Journal of molecular biology.

Effect of spin-orbit coupling on reduction potentials of octahedral ruthenium(II/III) and osmium(II/III) complexes.

M. Fojta, L. Havran, Michal Hocek, 2008, Journal of the American Chemical Society.

Coordination geometries of selected transition metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+) in metalloproteins.

L. Rulíšek, J. Vondrášek, Jiří Vondrášek, 1998, Journal of inorganic biochemistry.

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

L. Rulíšek, J. Roithová, Erik Andris, 2020, Angewandte Chemie.

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

L. Rulíšek, J. Roithová, Erik Andris, 2020, Angewandte Chemie.

A combined quantum and molecular mechanical study of the O2 reductive cleavage in the catalytic cycle of multicopper oxidases.

Ulf Ryde, Lubomír Rulísek, U. Ryde, 2005, Inorganic chemistry.

Theoretical studies of the active-site structure, spectroscopic and thermodynamic properties, and reaction mechanism of multicopper oxidases

U. Ryde, L. Rulíšek, 2013 .

Reduction potentials and acidity constants of Mn superoxide dismutase calculated by QM/MM free-energy methods.

U. Ryde, L. Rulíšek, Martin Srnec, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

A new insight into the zinc-dependent DNA-cleavage by the colicin E7 nuclease: a crystallographic and computational study.

K. Nagata, S. Larsen, E. Tóth, 2014, Metallomics : integrated biometal science.

Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.

L. Rulíšek, Martin Srnec, T. A. Rokob, 2012, Dalton transactions.

Reorganization energy for internal electron transfer in multicopper oxidases.

Lihong Hu, S. Shleev, U. Ryde, 2011, The journal of physical chemistry. B.

Reactivity of the binuclear non-heme iron active site of Δ⁹ desaturase studied by large-scale multireference ab initio calculations.

T. Yanai, E. Solomon, L. Rulíšek, 2014, Journal of the American Chemical Society.

Higher metal-ligand coordination in the catalytic site of cobalt-substituted Thermoanaerobacter brockii alcohol dehydrogenase lowers the barrier for enzyme catalysis.

O. Bogin, Y. Burstein, L. Rulíšek, 2004, Biochemistry.

Mapping of the active site of glutamate carboxypeptidase II by site‐directed mutagenesis

J. Konvalinka, J. Saldanha, D. Mahadevan, 2007, The FEBS journal.

Multireference ab initio calculations on reaction intermediates of the multicopper oxidases.

Frank Neese, Ulf Ryde, Lubomír Rulísek, 2006, Inorganic chemistry.

On the possibility of uphill intramolecular electron transfer in multicopper oxidases : electrochemical and quantum chemical study of bilirubin oxidase

S. Shleev, U. Ryde, C. Reimann, 2012 .

Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements.

Ulf Ryde, Lubomír Rulísek, U. Ryde, 2007, Journal of the American Chemical Society.

Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidases.

F. Neese, U. Ryde, E. Solomon, 2010, The journal of physical chemistry. B.

Structural and spectroscopic properties of the peroxodiferric intermediate of Ricinus communis soluble Δ9 desaturase.

Jennifer K. Schwartz, E. Solomon, L. Rulíšek, 2012, Inorganic chemistry.

Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation.

Y. V. Suleimanov, L. Rulíšek, P. Kočovský, 2015, Chemistry.

Theoretical description of the structure and magnetic properties of nitroxide-Cu(II)-nitroxide spin triads by means of multiconfigurational ab initio calculations.

F. Neese, L. Rulíšek, K. Pierloot, 2009, The journal of physical chemistry. A.

Increase in Solubility of Poorly-Ionizable Pharmaceuticals by Salt Formation: A Case of Agomelatine Sulfonates

J. Klimeš, M. Hušák, L. Rulíšek, 2017 .

1,2,4-Triazole-based N-heterocyclic carbene complexes of gold(I): synthesis, characterization and biological activity

A. Růžička, L. Rulíšek, J. Turek, 2016 .

Reaction mechanism of manganese superoxide dismutase studied by combined quantum and molecular mechanical calculations and multiconfigurational methods.

U. Ryde, L. Rulíšek, F. Aquilante, 2009, The journal of physical chemistry. B.

Ir-Catalyzed Cycloaddition of Tribenzocyclyne with Biphenylenes.

I. Císařová, L. Rulíšek, M. Kotora, 2021, The Journal of organic chemistry.

Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set.

L. Rulíšek, J. Řezáč, Daniel Bím, 2018, Journal of chemical theory and computation.

On the origin of diastereoselectivity in [2 + 2 + 2] cycloisomerization of chiral triynes: controlling helicity of helicene-like compounds by thermodynamic factors.

I. Císařová, L. Rulíšek, D. Šaman, 2008, The Journal of organic chemistry.

Synthesis of [5]-, [6]-, and [7]helicene via Ni(0)- or Co(I)-catalyzed isomerization of aromatic cis,cis-dienetriynes.

L. Rulíšek, D. Šaman, I. Stará, 2002, Journal of the American Chemical Society.

Understanding desaturation/hydroxylation activity of castor stearoyl Δ9-Desaturase through rational mutagenesis

I. Pichová, A. Svatoš, Martin Culka, 2022, Computational and structural biotechnology journal.

Mono- and binuclear non-heme iron chemistry from a theoretical perspective

P. Andrikopoulos, L. Rulíšek, J. Chalupský, 2016, JBIC Journal of Biological Inorganic Chemistry.

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

L. Rulíšek, Michal S. Shoshan, L. Sauser, 2022, ChemMedChem.

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

J. Černý, L. Rulíšek, Zahra Aliakbar Tehrani, 2021, Journal of biomolecular structure & dynamics.

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

E. Bouřa, L. Rulíšek, M. Buděšínský, 2021, Biochemistry.

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

Martin Culka, L. Rulíšek, Erik Andris, 2022, The journal of physical chemistry. B.

Azahelicene Superbases as MAILD Matrices for Acidic Analytes.

A. Svatoš, L. Rulíšek, V. Kašička, 2013, ChemPlusChem.

Diethyl fluoronitromethylphosphonate: synthesis and application in nucleophilic fluoroalkyl additions.

R. Pohl, P. Beran, L. Rulíšek, 2014, Chemistry.

Purines Bearing Phenanthroline or Bipyridine Ligands and Their RuII Complexes in Position 8 as Model Compounds for Electrochemical DNA Labeling – Synthesis, Crystal Structure, Electrochemistry, Quantum Chemical Calculations, Cytostatic and Antiviral Activity

I. Shih, M. Fojta, L. Havran, 2007 .

Divergent pathways and competitive mechanisms of metathesis reactions between 3-arylprop-2-ynyl esters and aldehydes: an experimental and theoretical study.

Ieva Karpavičienė, I. Čikotienė, U. Jahn, 2014, Chemistry.

Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH.

L. Rulíšek, V. Eigner, E. Svobodová, 2016, Chemistry.

Mechanistic dichotomy in the asymmetric allylation of aldehydes with allyltrichlorosilanes catalyzed by chiral pyridine N-oxides.

L. Biedermannová, V. Langer, L. Rulíšek, 2013, Chemistry.

On the mechanism of asymmetric allylation of aldehydes with allyltrichlorosilanes catalyzed by QUINOX, a chiral isoquinoline N-oxide.

L. Rulíšek, M. Kotora, P. Kočovský, 2008, Journal of the American Chemical Society.

Are Octahedral Ruthenium(II/III) and Osmium(II/III) Complexes Always Low-Spin?

L. Rulíšek, J. Chalupský, Martin Srnec, 2008 .

Covalent dimers of 1,3-diphenylisobenzofuran for singlet fission: synthesis and electrochemistry.

J. Michl, P. Beran, J. Ludvík, 2015, The Journal of organic chemistry.

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.

J. Harvey, L. Rulíšek, L. Nováková, 2019, Chemistry.

Catalytic Cycle of Multicopper Oxidases Studied by Combined Quantum- and Molecular-Mechanical Free-Energy Perturbation Methods.

U. Ryde, L. Rulíšek, Jilai Li, 2015, The journal of physical chemistry. B.

An organometallic route to long helicenes

J. Chocholousová, I. Císařová, J. Míšek, 2009, Proceedings of the National Academy of Sciences.

Helicity control in the synthesis of helicenes and related compounds

L. Rulíšek, D. Šaman, I. Stará, 2006 .

Elucidation of the tyrosinase/O2/monophenol ternary intermediate that dictates the monooxygenation mechanism in melanin biosynthesis

P. Andrikopoulos, E. Solomon, L. Rulíšek, 2022, Proceedings of the National Academy of Sciences of the United States of America.

exo-Substituent effects in halogenated icosahedral (B12H122–) and octahedral (B6H62–) closo-borane skeletons: chemical reactivity studied by experimental and quantum chemical methods

L. Rulíšek, D. Hnyk, M. Lepšík, 2009 .

Structure of reduced and oxidized manganese superoxide dismutase: a combined computational and experimental approach.

U. Ryde, L. Rulíšek, 2006, The journal of physical chemistry. B.

Micro-hydration of the MgNO3+ cation in the gas phase.

P. Jungwirth, L. Rulíšek, J. Lemaire, 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

On the Convergence of the Physicochemical Properties of [n]Helicenes

Otto Exner, Pavel Jungwirth, Lubomír Rulíšek, 2007 .

Predicting the stability constants of metal-ion complexes from first principles.

Ondrej Gutten, Lubomír Rulíšek, L. Rulíšek, 2013, Inorganic chemistry.

Acceptor-substituted ferrocenium salts as strong, single-electron oxidants: synthesis, electrochemistry, theoretical investigations, and initial synthetic application.

U. Jahn, I. Císařová, L. Rulíšek, 2012, Chemistry.

Aurophilic Interactions in [(L)AuCl]...[(L')AuCl] Dimers: Calibration by Experiment and Theory.

P. Andrikopoulos, A. Růžička, L. Rulíšek, 2018, Journal of the American Chemical Society.

Structures of inclusion complexes of halogenbenzoic acids and α-cyclodextrin based on AM1 calculations

M. Pumera, L. Rulíšek, 2006, Journal of molecular modeling.

β-Cyclodextrin duplexes that are connected through two disulfide bonds: potent hosts for the complexation of organic molecules.

Anastasia A. Grishina, L. Rulíšek, M. Dušek, 2012, Chemistry.

The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations

Ulf Ryde, Lubomír Rulísek, Kasper P. Jensen, 2006, J. Comput. Chem..

Bacterial Surface Display of Metal-Binding Sites

T. Ruml, L. Rulíšek, P. Kotrba, 2011 .

On the mechanism of the copper-mediated C-S bond formation in the intramolecular disproportionation of imine disulfides.

L. Rulíšek, É. Zins, D. Schröder, 2011, Inorganic chemistry.

AB INITIO CALCULATIONS OF MONOSUBSTITUTED (CH3OH, CH3SH, NH3) HYDRATED IONS OF ZN2+ AND NI2+

L. Rulíšek, Z. Havlas, 1999 .

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

L. Rulíšek, J. Řezáč, P. Jurečka, 2021, Physical chemistry chemical physics : PCCP.

Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe‐Gly‐Phe tripeptide

Pavel Hobza, Otto Exner, Lubomír Rulísek, 2008, J. Comput. Chem..

Ab Initio calculations of [CoY6−nXn]2+ complexes

L. Rulíšek, Z. Havlas, 2000 .

On the miscibility of ethers and perfluorocarbons: An experimental and theoretical study

L. Rulíšek, P. Babiak, P. Beier, 2008 .

Spontaneous Adsorption of a Co-Phthalocyanine Ionic Derivative on HOPG. An In Situ EPR Study

J. Tarábek, L. Rulíšek, P. Janda, 2014 .

Radical Reactions Affecting Polar Groups in Threonine Peptide Ions.

F. Tureček, P. Andrikopoulos, Andy Dang, 2017, The journal of physical chemistry. B.

Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II.

J. Konvalinka, Martin Culka, L. Rulíšek, 2022, The journal of physical chemistry. B.

Efficient Covalent Bond Formation in Gas-Phase Peptide–Peptide Ion Complexes with the Photoleucine Stapler

F. Tureček, P. Andrikopoulos, L. Rulíšek, 2016, Journal of The American Society for Mass Spectrometry.

The stability and reactivity of activated acryloylcarbamates as reagents for the synthesis of N‐1 substituted thymine and uracil – an NMR and DFT study

R. Pohl, L. Rulíšek, D. Rejman, 2011 .

An experimental and theoretical study of stereoselectivity of furan-maleic anhydride and furan-maleimide diels-alder reactions.

R. Hrabal, A. Svatoš, L. Rulíšek, 2005, The Journal of organic chemistry.

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

I. Štěpánek, J. Brynda, E. Bouřa, 2019, Journal of medicinal chemistry.

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

E. Bouřa, L. Rulíšek, M. Dračínský, 2021, Journal of medicinal chemistry.

Coordination and bond activation in complexes of regioisomeric phenylpyridines with the nickel(II) chloride cation in the gas phase.

L. Rulíšek, D. Schröder, T. A. Rokob, 2013, The journal of physical chemistry. A.

Synthesis and photophysical properties of biaryl-substituted nucleos(t)ides. Polymerase synthesis of DNA probes bearing solvatochromic and pH-sensitive dual fluorescent and 19F NMR labels.

R. Pohl, Michal Hocek, Jan Riedl, 2012, The Journal of organic chemistry.

Reduction Pathways of 2,4,6-Trinitrotoluene: An Electrochemical and Theoretical Study

M. Pumera, Chun Kiang Chua, L. Rulíšek, 2012 .

Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity

L. Rulíšek, Martin Srnec, Mauricio Maldonado-Domínguez, 2018, Proceedings of the National Academy of Sciences.

Theoretical aspects of hydrolysis of peptide bonds by zinc metalloenzymes.

L. Rulíšek, V. Navrátil, V. Klusák, 2013, Chemistry.

Dinucleoside polyphosphates act as 5′-RNA caps in bacteria

H. Šanderová, L. Krásný, M. Hubálek, 2020, Nature Communications.

Dinucleoside polyphosphates act as 5’-RNA caps in Escherichia coli

M. Hubálek, Hana Cahová, Oldřích Hudeček, 2019, bioRxiv.

Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase.

E. Solomon, Martin Culka, L. Rulíšek, 2020, Journal of the American Chemical Society.

Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X‐ray crystallography, microcalorimetry, and molecular dynamics simulations

V. Král, P. Mader, J. Brynda, 2007, Proteins.

Activation processing of cathepsin H impairs recognition by its propeptide

O. Vasiljeva, B. Turk, L. Rulíšek, 2005, Biological chemistry.

Dual substrate and reaction specificity in mouse serine racemase: identification of high-affinity dicarboxylate substrate and inhibitors and analysis of the beta-eliminase activity.

J. Konvalinka, L. Rulíšek, K. Stříšovský, 2005, Biochemistry.

The quest for alternative routes to racemic and nonracemic azahelicene derivatives

L. Rulíšek, J. Cvačka, P. Vojtisek, 2009 .

Novel substrate-based inhibitors of human glutamate carboxypeptidase II with enhanced lipophilicity.

M. Pomper, J. Konvalinka, J. Lubkowski, 2011, Journal of medicinal chemistry.

Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography, and computational methods.

J. Konvalinka, J. Lubkowski, P. Mlcochova, 2009, Biochemistry.

Cyclam Derivatives with a Bis(phosphinate) or a Phosphinato-Phosphonate Pendant Arm: Ligands for Fast and Efficient Copper(II) Complexation for Nuclear Medical Applications.

L. Rulíšek, P. Lubal, P. Hermann, 2015, Inorganic chemistry.

Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein

E. Bouřa, L. Rulíšek, M. Kožíšek, 2021, Angewandte Chemie.

Reductive cleavage of the O-O bond in multicopper oxidases: a QM/MM and QM study.

U. Ryde, L. Rulíšek, Martin Srnec, 2011, Faraday discussions.

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

V. Svorcik, L. Rulíšek, J. Váňa, 2021, Chemical science.

Interaction of metal ions with biomolecular ligands: how accurate are calculated free energies associated with metal ion complexation?

Ivana Beššeová, L. Rulíšek, Ondrej Gutten, 2011, The journal of physical chemistry. A.

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

L. Rulíšek, B. Spingler, Michal S. Shoshan, 2021, Inorganic chemistry.

Sexual attraction in the silkworm moth. Nature of binding of bombykol in pheromone binding protein--an ab initio study.

J. Vondrášek, A. Svatoš, L. Rulíšek, 2003, Chemistry & biology.

Acid–base-driven matrix-assisted mass spectrometry for targeted metabolomics

A. Svatoš, L. Rulíšek, R. Shroff, 2009, Proceedings of the National Academy of Sciences.

Spectroscopic and Computational Evidence of Intramolecular AuI⋅⋅⋅H+−N Hydrogen Bonding

M. Straka, A. Růžička, L. Rulíšek, 2019, Angewandte Chemie.

Preparation and redox properties of fluorinated 1,3-diphenylisobenzofurans

R. Pohl, J. Michl, Jenica Marie L. Madridejos, 2019, Electrochimica Acta.

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

Martin Culka, L. Rulíšek, 2019, The journal of physical chemistry. B.

General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibility.

J. Šponer, N. Walter, M. Otyepka, 2008, The journal of physical chemistry. B.

Biochemical characterization of human glutamate carboxypeptidase III

J. Konvalinka, P. Mlcochova, L. Rulíšek, 2006, Journal of neurochemistry.

Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities

J. Konvalinka, L. Rulíšek, K. Hlouchová, 2016, The FEBS journal.

Potent Cyclic Tetrapeptide for Lead Detoxification

C. Meier, L. Rulíšek, Michal S. Shoshan, 2021, Angewandte Chemie.

Potent Cyclic Tetrapeptide for Lead Detoxification.

L. Rulíšek, C. Meier, Michal S. Shoshan, 2021, Angewandte Chemie.

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

L. Rulíšek, P. Slavíček, Lukáš Tomaník, 2023, Journal of chemical theory and computation.

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

M. Schutkowski, A. Kozikowski, L. Rulíšek, 2023, ACS chemical biology.

Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology

Jan Řezáč, Ondrej Gutten, Daniel Bím, 2017, J. Chem. Inf. Model..

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

Martin Culka, L. Rulíšek, P. Beier, 2019, Chemistry.

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

L. Rulíšek, C. Bařinka, D. Ferraris, 2019, Bioorganic & medicinal chemistry.

Proton Affinities of Organocatalysts Derived from Pyridine N-oxide

P. Beran, L. Rulíšek, J. Váňa, 2014 .

Curvature correction for microiterative optimizations with QM/MM electronic embedding

Tibor András Rokob, Lubomír Rulísek, L. Rulíšek, 2012, J. Comput. Chem..

Cationic Gold(II) Complexes: Experimental and Theoretical Study

M. Straka, L. Rulíšek, J. Roithová, 2022, Chemistry.

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

E. Bouřa, L. Rulíšek, M. Kožíšek, 2021, Biochemistry.

Solvatochromic fluorene-linked nucleoside and DNA as color-changing fluorescent probes for sensing interactions

R. Pohl, Michal Hocek, J. Brynda, 2016, Chemical science.

Catalytic Cycle of Multicopper Oxidases Studied by Combined Quantum- and Molecular-Mechanical Free-Energy Perturbation Methods.

U. Ryde, L. Rulíšek, Jilai Li, 2015, Journal of Physical Chemistry B.

Mono- and binuclear non-heme iron chemistry from a theoretical perspective

P. Andrikopoulos, L. Rulíšek, J. Chalupský, 2016, JBIC Journal of Biological Inorganic Chemistry.

Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology.

L. Rulíšek, Martin Srnec, Daniel Bím, 2016, The journal of physical chemistry letters.

How simple is too simple? Computational perspective on importance of second-shell environment for metal-ion selectivity.

L. Rulíšek, Ondrej Gutten, 2015, Physical chemistry chemical physics : PCCP.

Mapping Conformational Space of All 8000 Tripeptides by Quantum Chemical Methods: What Strain Is Affordable within Folded Protein Chains?

Martin Culka, L. Rulíšek, Ondrej Gutten, 2021, The journal of physical chemistry. B.

Reactivity of the binuclear non-heme iron active site of Δ⁹ desaturase studied by large-scale multireference ab initio calculations.

E. Solomon, L. Rulíšek, Yuki Kurashige, 2014, Journal of the American Chemical Society.

Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.

L. Rulíšek, Martin Srnec, T. A. Rokob, 2012, Dalton transactions.

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

L. Rulíšek, Erik Andris, S. Štěpánová, 2023, Electrophoresis.

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

Martin Culka, L. Rulíšek, 2020, The journal of physical chemistry. B.

Aurophilic Interactions in [(L)AuCl]...[(L')AuCl] Dimers: Calibration by Experiment and Theory.

P. Andrikopoulos, A. Růžička, L. Rulíšek, 2018, Journal of the American Chemical Society.

On the Accuracy of Calculated Reduction Potentials of Selected Group 8 (Fe, Ru, and Os) Octahedral Complexes

L. Rulíšek, 2013 .

Divergent pathways and competitive mechanisms of metathesis reactions between 3-arylprop-2-ynyl esters and aldehydes: an experimental and theoretical study.

Ieva Karpavičienė, I. Čikotienė, U. Jahn, 2014, Chemistry.

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

L. Rulíšek, T. Martinek, Pavel Jungwirth, 2024, The Journal of chemical physics.