Tomáš Kubař

4.4k citations

63 papers · 2.6k indexed · 1 hit paper · h-index 26

Impact in

Physical and Theoretical Chemistry top 1%
- Photochemistry and Electron Transfer Studies
Atomic and Molecular Physics, and Optics top 2%
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies

Papers in

Physical and Theoretical Chemistry 20
- Photochemistry and Electron Transfer Studies 14
Atomic and Molecular Physics, and Optics 27
- Spectroscopy and Quantum Chemical Studies 20
- Advanced Chemical Physics Studies 9

Co-authors: Marcus Elstner P. Benjamin Woiczikowski Qiang Cui Anders S. Christensen Pavel Hobza Gianaurelio Cuniberti Michael Gaus Jan Řezáč
Journals: The Journal of Physical Chemistry B (15 papers)Physical Chemistry Chemical Physics (8 papers)Journal of Chemical Theory and Computation (7 papers)The Journal of Chemical Physics (6 papers)Journal of the American Chemical Society (3 papers)
Partner nations: Germany Czechia United States

In The Last Decade

Tomáš Kubař

63 papers receiving 2.6k citations

Hit Papers

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Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications 2016 · 329 citations

Peers

Countries citing papers authored by Tomáš Kubař

Since Specialization

Citations

This map shows the geographic impact of Tomáš Kubař's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Tomáš Kubař with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Tomáš Kubař more than expected).

Fields of papers citing papers by Tomáš Kubař

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Tomáš Kubař. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Tomáš Kubař. The network helps show where Tomáš Kubař may publish in the future.

Co-authors

The 25 scholars most cited alongside Tomáš Kubař, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Tomáš Kubař Line = papers co-authored together Tomáš Kubař links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Mechanism of activation and autophosphorylation of a histidine kinase Communications Chemistry ·Haiying Liu, Christian Camilo Martínez Morales, Hendrik Szurmant, Tomáš Kubař, Alexander Schug	2024	5
2	Disulfide bond reduction and exchange in C4 domain of von Willebrand factor undermines platelet binding Journal of Thrombosis and Haemostasis ·Rocío Gago Gelado, Diego Butera, Angelina J. Lay, Julia S. Merican, Joyce Chiu, 郑袁明, Tomáš Kubař, Marcus Elstner, Camilo Aponte‐Santamaría, Philip J. Hogg, Frauke Gräter	2023	4
3	Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding The Journal of Chemical Physics ·Julia S. Merican, V. V. Titarenko, Henryk A. Witek, B. Hourahine, Marcus Elstner, Tomáš Kubař	2023	5
4	Tracking the Electron Transfer Cascade in European Robin Cryptochrome 4 Mutants Journal of the American Chemical Society ·J.E. Devilee, 憲将深田, Anisoara Bumbu, von Muenchow Asmus, Jingjing Xu, Rabea Bartölke, Jessica Schmidt, Tomáš Kubař, Antonietta De Sio, Ilia A. Solov’yov, Henrik Mouritsen, Christoph Lienau	2023	24
5	Extended-sampling QM/MM simulation of biochemical reactions involving P–N bonds Physical Chemistry Chemical Physics ·Haiying Liu, Kupika Olga L, Tomáš Kubař	2023	3
6	Unravelling the mechanism of glucose binding in a protein-based fluorescence probe: molecular dynamics simulation with a tailor-made charge model Physical Chemistry Chemical Physics ·XiuJuan Bi, Nikolaos Politopoulos, Tomáš Kubař, Marcus Elstner	2022	5
7	Reduction pathway of glutaredoxin 1 investigated with QM/MM molecular dynamics using a neural network correction The Journal of Chemical Physics ·Alison Sainsbury, Tomáš Kubař, Marcus Elstner, Julia S. Merican	2022	6
8	Electrostatic interactions contribute to the control of intramolecular thiol–disulfide isomerization in a protein Physical Chemistry Chemical Physics ·Julia S. Merican, Ashely Alker, Jengsoo Choi, Frauke Gräter, Marcus Elstner, Tomáš Kubař	2021	4
9	DFTB/MM Molecular Dynamics Simulations of the FMO Light-Harvesting Complex The Journal of Physical Chemistry Letters ·雅興高橋, Ittipol Kansiri, Jigneshkumar Dahyabhai Prajapati, Nikolaos Politopoulos, Tomáš Kubař, Marcus Elstner, Ulrich Kleinekathöfer	2020	44
10	Molecular Insights into Variable Electron Transfer in Amphibian Cryptochrome Biophysical Journal ·Emil Sjulstok, Hasan Kadhim, Tomáš Kubař, Marcus Elstner, Ilia A. Solov’yov	2018	19
11	Structural Behavior of the Peptaibol Harzianin HK VI in a DMPC Bilayer: Insights from MD Simulations Biophysical Journal ·Ashely Alker, 信三麹谷, Sergii Afonin, Stephan L. Grage, Haerozi Haerozi, Grégory Chaume, Thierry Brigaud, Anne S. Ulrich, Tomáš Kubař	2017	6
12	Molecular Dynamics Investigation of gluazo, a Photo-Switchable Ligand for the Glutamate Receptor GluK2 PLoS ONE ·Yanan Guo, Emanuel Hofer, Tomáš Kubař, Martin Sumser, Dirk Trauner, Marcus Elstner	2015	8
13	New QM/MM implementation of the DFTB3 method in the gromacs package Journal of Computational Chemistry ·Tomáš Kubař, Kai Welke, Gerrit Groenhof	2015	48
14	Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals The Journal of Physical Chemistry B ·Alexander Heck, P. Benjamin Woiczikowski, Tomáš Kubař, Kai Welke, Thomas A. Niehaus, Bernd Giese, Spiros S. Skourtis, Marcus Elstner, Thomas Steinbrecher	2014	17
15	Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene ChemPhysChem ·Wenjin Li, Scott Edwards, Lanyuan Lu, Tomáš Kubař, Sandeep P. Patil, Helmut Grubmüller, Gerrit Groenhof, Frauke Gräter	2013	16
16	Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA Physical Chemistry Chemical Physics ·Tomáš Kubař, Marcus Elstner	2013	61
17	Charge Transport through Biomolecular Wires in a Solvent: Bridging Molecular Dynamics and Model Hamiltonian Approaches Physical Review Letters ·Rafael Gutiérrez, R. A. Caetano, Susan Burt, Tomáš Kubař, Marcus Elstner, Gianaurelio Cuniberti	2009	74
18	Dispersion Interactions Govern the Strong Thermal Stability of a Protein Chemistry - A European Journal ·Jiřı́ Vondrášek, Tomáš Kubař, Francis E. Jenney, Michael W. W. Adams, Milan Kožíšek, Jiří Černý, Vladimı́r Sklenář, Pavel Hobza	2007	27
19	Binding of Cationic and Neutral Phenanthridine Intercalators to a DNA Oligomer Is Controlled by Dispersion Energy: Quantum Chemical Calculations and Molecular Mechanics Simulations Chemistry - A European Journal ·Tomáš Kubař, Michal Hanus, Filip Ryjáček, Pavel Hobza	2005	67
20	New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid bases Journal of Computational Chemistry ·Filip Ryjáček, Tomáš Kubař, Pavel Hobza	2003	17

About Tomáš Kubař

Tomáš Kubař is a scholar working on Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics, Molecular Biology, Cellular and Molecular Neuroscience and Biophysics, having authored 63 papers that have together received 2.6k indexed citations. Recurring topics across this work include DNA and Nucleic Acid Chemistry (22 papers), Spectroscopy and Quantum Chemical Studies (20 papers), Molecular Junctions and Nanostructures (15 papers), Photochemistry and Electron Transfer Studies (14 papers), Protein Structure and Dynamics (11 papers), Photoreceptor and optogenetics research (9 papers), Advanced Chemical Physics Studies (9 papers) and Advanced biosensing and bioanalysis techniques (8 papers). The work is most often cited by research in Physical and Theoretical Chemistry (569 citations), Atomic and Molecular Physics, and Optics (978 citations), Molecular Biology (1.2k citations), Biophysics (93 citations) and Spectroscopy (229 citations). Tomáš Kubař has collaborated with scholars based in Germany, Czechia and United States. Frequent co-authors include Marcus Elstner, P. Benjamin Woiczikowski, Qiang Cui, Anders S. Christensen, Pavel Hobza, Gianaurelio Cuniberti, Michael Gaus, Jan Řezáč, Maximilian Kubillus and Filip Ryjáček. Their work appears in journals such as The Journal of Physical Chemistry B, Physical Chemistry Chemical Physics, Journal of Chemical Theory and Computation, The Journal of Chemical Physics and Journal of the American Chemical Society.

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