2026
Svoboda, Tomáš; Mikuš, Miochal; Bohuš, Lukáš; Raček, Tomáš; Bučeková, Gabriela; Tichý, Dominik; Berka, Karel; Svobodová, Radka; Schindler, Ondřej: PROPTIMUS LIVE: local constrained α-carbon optimization of proteins.. In: Nucleic Acids Res., no. gkag511, 2026. (DOI)
@article{nokey,
title = {PROPTIMUS LIVE: local constrained α-carbon optimization of proteins.},
author = {Svoboda, Tomáš and Mikuš, Miochal and Bohuš, Lukáš and Raček, Tomáš and Bučeková, Gabriela and Tichý, Dominik and Berka, Karel and Svobodová, Radka and Schindler, Ondřej},
year = {2026},
date = {2026-05-20},
journal = {Nucleic Acids Res.},
number = {gkag511},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Raček, Tomáš; Pilát, Martin; Schindler, Ondřej; Bučeková, Gabriela; Tichý, Dominik; Berka, Karel; Svobodová, Radka: Atomic Charge Calculator III: a modern platform for calculating partial atomic charges.. In: Nucleic Acids Res, vol. ASAP, no. gkag379, 2026. (DOI)
@article{Raček2026,
title = {Atomic Charge Calculator III: a modern platform for calculating partial atomic charges.},
author = {Raček, Tomáš and Pilát, Martin and Schindler, Ondřej and Bučeková, Gabriela and Tichý, Dominik and Berka, Karel and Svobodová, Radka },
doi = {10.1093/nar/gkag379},
year = {2026},
date = {2026-04-27},
journal = {Nucleic Acids Res},
volume = {ASAP},
number = {gkag379},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Slanináková, Terézia; Rošinec, Adrián; Čillík, Jakub; Křenek, Aleš; Gresova, Katarina; Porubská, Jana; Maršálková, Eva; Olha, Jaroslav; Procházka, David; Hejtmánek, Lukáš; Dohnal, Vlastislav; Berka, Karel; Svobodová, Radka; Antol, Matej: AlphaFind v2: similarity search in AlphaFold DB and TED domains across structural contexts.. In: Nucleic Acids Res., no. gkag372, 2026. (DOI)
@article{Slanináková2026,
title = {AlphaFind v2: similarity search in AlphaFold DB and TED domains across structural contexts.},
author = {Slanináková, Terézia and Rošinec, Adrián and Čillík, Jakub and Křenek, Aleš and Gresova, Katarina and Porubská, Jana and Maršálková, Eva and Olha, Jaroslav and Procházka, David and Hejtmánek, Lukáš and Dohnal, Vlastislav and Berka, Karel and Svobodová, Radka and Antol, Matej },
doi = {10.1093/nar/gkag372},
year = {2026},
date = {2026-04-24},
journal = {Nucleic Acids Res.},
number = {gkag372},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Stryšovský, Tomáš; Prucek, Robert; Panáček, Aleš; Kašlík, Josef; Reichenberger, Sven; Petr, Martin; Kvítek, Libor: Laser-generated X/InxOy/ZrO2 (X = Ni, Cu) composite catalysts: influence of support structure and in loading on catalytic activity.. In: Sci. Rep., vol. ASAP, 2026. (DOI)
@article{Stryšovský2026,
title = {Laser-generated X/InxOy/ZrO2 (X = Ni, Cu) composite catalysts: influence of support structure and in loading on catalytic activity.},
author = {Stryšovský, Tomáš and Prucek, Robert and Panáček, Aleš and Kašlík, Josef and Reichenberger, Sven and Petr, Martin and Kvítek, Libor},
year = {2026},
date = {2026-04-13},
journal = {Sci. Rep.},
volume = {ASAP},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bužková, Aneta; Pocklanová, Radka; Novák, Vlastimil; Petr, Martin; Štefková, Barbora; Rancová, Alexandra; Kašlík, Josef; Prucek, Robert; Panáček, Aleš; Kvítek, Libor: Photocatalytic and Photo-Fenton Degradation Activity of Hierarchically Structured α-Fe2O3@Fe-CeO2 and g-C3N4 Composite. . In: Int. J. Mol. Sci. , vol. 27, iss. 7, no. 3133, 2026. (DOI)
@article{Bužková2026,
title = {Photocatalytic and Photo-Fenton Degradation Activity of Hierarchically Structured α-Fe2O3@Fe-CeO2 and g-C3N4 Composite. },
author = {Bužková, Aneta and Pocklanová, Radka and Novák, Vlastimil and Petr, Martin and Štefková, Barbora and Rancová, Alexandra and Kašlík, Josef and Prucek, Robert and Panáček, Aleš and Kvítek, Libor},
doi = {10.3390/ijms27073133},
year = {2026},
date = {2026-03-30},
journal = {Int. J. Mol. Sci. },
volume = {27},
number = {3133},
issue = {7},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lapčíková, Barbora; Lapčík, Lubomír; Neuwirth, Vojtěch; Okelo, Erick Omodho; Valenta, Tomáš; Vašina, Martin; Řepka, David; Machalová, Aneta: Dark chocolates: Effects of emulsifier types and concentrations on physico-mechanical properties. . In: LWT, vol. 244, no. 119206, 2026. (DOI)
@article{Lapčíková2026,
title = {Dark chocolates: Effects of emulsifier types and concentrations on physico-mechanical properties. },
author = {Lapčíková, Barbora and Lapčík, Lubomír and Neuwirth, Vojtěch and Okelo, Erick Omodho and Valenta, Tomáš and Vašina, Martin and Řepka, David and Machalová, Aneta},
doi = {10.1016/j.lwt.2026.119206},
year = {2026},
date = {2026-03-15},
journal = {LWT},
volume = {244},
number = {119206},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Simkovičová, Karolína; Qadir, Muhammad I; Žilková, Naděžda; Olszówka, Joanna E; Kvítek, Libor; Klementová, Mariana; Prado, Esther; Vajda, Štefan: Selective Low-Temperature Oxidative Dehydrogenation of Propane over Alumina-Supported Copper Nanoparticles with O2 and CO2 as Oxidants.. In: Molecules , vol. 31, iss. 4, no. 626, 2026. (DOI)
@article{Simkovičová2026,
title = {Selective Low-Temperature Oxidative Dehydrogenation of Propane over Alumina-Supported Copper Nanoparticles with O2 and CO2 as Oxidants.},
author = {Simkovičová, Karolína and Qadir, Muhammad I and Žilková, Naděžda and Olszówka, Joanna E and Kvítek, Libor and Klementová, Mariana and Prado, Esther and Vajda, Štefan},
doi = {10.3390/molecules31040626},
year = {2026},
date = {2026-02-16},
journal = {Molecules },
volume = {31},
number = {626},
issue = {4},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Tibe, Arati P; Bhattacharjya, Tathagata; Panáček, Aleš; Prucek, Robert; Kvítek, Libor: Electron Traps in Thermal Heterogeneous Catalysis: Fundamentals, Detection, and Applications of CO2 Hydrogenation.. In: Catalysts , vol. 16, iss. 2, no. 156, 2026. (DOI)
@article{Tibe2026,
title = {Electron Traps in Thermal Heterogeneous Catalysis: Fundamentals, Detection, and Applications of CO2 Hydrogenation.},
author = {Tibe, Arati P and Bhattacharjya, Tathagata and Panáček, Aleš and Prucek, Robert and Kvítek, Libor},
doi = {10.3390/catal16020156},
year = {2026},
date = {2026-02-03},
journal = {Catalysts },
volume = {16},
number = {156},
issue = {2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Profous, David; Cankářová, Naděžda; Enengl, Jakob; Soji, Sarin; Rinner, Uwe; Jurečka, Petr; Cankař, Petr: Second-Generation Synthesis and Analytical Application of TBBA for Chiral Analysis of Amino Acids and Oligopeptides by 1H and 19F NMR Spectroscopy.. In: J. Org. Chem., vol. 91, iss. 5, pp. 2065–2073, 2026. (DOI)
@article{Profous2026,
title = {Second-Generation Synthesis and Analytical Application of TBBA for Chiral Analysis of Amino Acids and Oligopeptides by 1H and 19F NMR Spectroscopy.},
author = {Profous, David and Cankářová, Naděžda and Enengl, Jakob and Soji, Sarin and Rinner, Uwe and Jurečka, Petr and Cankař, Petr},
doi = {10.1021/acs.joc.5c02693},
year = {2026},
date = {2026-01-28},
journal = {J. Org. Chem.},
volume = {91},
issue = {5},
pages = {2065–2073},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Stehlík, Jan; Pocklanová, Radka; Profous, David; Lapčíková, Barbora; Cankář, Petr; Kvítek, Libor; Lapčík, Lubomír: Innovative Copper-Based Heterogeneous Catalyst for Chan–Lam Cross-Coupling.. In: Catalysts , vol. 16, iss. 1, no. 94, 2026. (DOI)
@article{Stehlík2026,
title = {Innovative Copper-Based Heterogeneous Catalyst for Chan–Lam Cross-Coupling.},
author = {Stehlík, Jan and Pocklanová, Radka and Profous, David and Lapčíková, Barbora and Cankář, Petr and Kvítek, Libor and Lapčík, Lubomír},
doi = {10.3390/catal16010094},
year = {2026},
date = {2026-01-16},
journal = {Catalysts },
volume = {16},
number = {94},
issue = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Suchánková, Lucie; Kvítek, Libor; Kolář, Milan; Panáček, Aleš: Emerging strategies of bacterial adaptation mechanisms to silver and metal oxide nanomaterials .. In: FEMS Microbiol. Rev., vol. 50, no. fuaf060, 2026. (DOI)
@article{Suchánková2026,
title = {Emerging strategies of bacterial adaptation mechanisms to silver and metal oxide nanomaterials .},
author = {Suchánková, Lucie and Kvítek, Libor and Kolář, Milan and Panáček, Aleš},
doi = {10.1093/femsre/fuaf060},
year = {2026},
date = {2026-01-02},
journal = {FEMS Microbiol. Rev.},
volume = {50},
number = {fuaf060},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Andrýsková, Pavlína; Prucek, Robert: Multimetallic nanostructures: innovations and applications in environmental remediation, biosensing, and medical technologies.. In: Nanoscale, vol. ASAP, 2026. (DOI)
@article{Andrýsková2026,
title = {Multimetallic nanostructures: innovations and applications in environmental remediation, biosensing, and medical technologies.},
author = {Andrýsková, Pavlína and Prucek, Robert },
doi = {10.1039/D5NR02086G},
year = {2026},
date = {2026-01-01},
urldate = {2026-01-01},
journal = {Nanoscale},
volume = {ASAP},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Nedělníková, Andrea; Stadlbauer, Petr; Banáš, Pavel; Šponer, Jiří; Otyepka, Michal; Kührová, Petra; Paloncýová, Markéta: Interaction of Carbon Dots with Nucleic Acids Is Driven by Their Surface Charge. In: J.Chem. Inf.Model., vol. 66, iss. 1, pp. 591−604, 2026. (DOI)
@article{Nedělníková2026,
title = {Interaction of Carbon Dots with Nucleic Acids Is Driven by Their Surface Charge},
author = {Nedělníková, Andrea and Stadlbauer, Petr and Banáš, Pavel and Šponer, Jiří and Otyepka, Michal and Kührová, Petra and Paloncýová, Markéta},
doi = {10.1021/acs.jcim.5c02242},
year = {2026},
date = {2026-01-01},
journal = {J.Chem. Inf.Model.},
volume = {66},
issue = {1},
pages = {591−604},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2025
Profous, David; Kriegelstein, Michal; Jurečka, Petr; Cankař, Petr: Application of 19F NMR Spectroscopy for Determining the Absolute Configuration of α-Chiral Amines and Secondary Alcohols Using Trifluoromethylbenzoimidazolylbenzoic Acid. In: J. Org. Chem., vol. 90, iss. 28, pp. 9867–9884, 2025. (DOI)
@article{nokey,
title = {Application of 19F NMR Spectroscopy for Determining the Absolute Configuration of α-Chiral Amines and Secondary Alcohols Using Trifluoromethylbenzoimidazolylbenzoic Acid},
author = {Profous, David and Kriegelstein, Michal and Jurečka, Petr and Cankař, Petr},
doi = {10.1021/acs.joc.5c00879},
year = {2025},
date = {2025-07-09},
journal = {J. Org. Chem.},
volume = {90},
issue = {28},
pages = {9867–9884},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Kurillová, Antonia; Kvítek, Libor; Panáček, Aleš: Innovative Approaches in Cancer Treatment: Emphasizing the Role of Nanomaterials in Tyrosine Kinase Inhibition.. In: Pharmaceutics , vol. 17, iss. 6, no. 783, 2025. (DOI)
@article{Kurillová2025,
title = {Innovative Approaches in Cancer Treatment: Emphasizing the Role of Nanomaterials in Tyrosine Kinase Inhibition.},
author = {Kurillová, Antonia and Kvítek, Libor and Panáček, Aleš},
doi = {10.3390/pharmaceutics17060783},
year = {2025},
date = {2025-06-19},
journal = {Pharmaceutics },
volume = {17},
number = {783},
issue = {6},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Řepka, David; Lapčík, Lubomír: Comparative Analysis of Polyphenolic Acids from Various Zea mays Parts in Ultrasound-Assisted Extraction.. In: Foods, vol. 14, iss. 9, no. 1458, 2025. (DOI)
@article{Řepka2025,
title = {Comparative Analysis of Polyphenolic Acids from Various Zea mays Parts in Ultrasound-Assisted Extraction.},
author = {Řepka, David and Lapčík, Lubomír},
doi = {10.3390/foods14091458},
year = {2025},
date = {2025-05-17},
journal = {Foods},
volume = {14},
number = {1458},
issue = {9},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Schindler, Ondřej; Svoboda, Tomáš; Rošinec, Adrián; Raček, Tomáš; Bučeková, Gabriela; Tichý, Dominik; Berka, Karel; Svobodová, Radka: PDBCharges: Quantum-Mechanical Partial Atomic Charges for PDB Structures.. In: Nucleic Acids Res., no. gkaf401, 2025. (DOI)
@article{Schindler2025,
title = {PDBCharges: Quantum-Mechanical Partial Atomic Charges for PDB Structures.},
author = {Schindler, Ondřej and Svoboda, Tomáš and Rošinec, Adrián and Raček, Tomáš and Bučeková, Gabriela and Tichý, Dominik and Berka, Karel and Svobodová, Radka},
doi = {10.1093/nar/gkaf401},
year = {2025},
date = {2025-05-10},
journal = {Nucleic Acids Res.},
number = {gkaf401},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lapčík, Lubomír; Vašina, Martin; Murtaja, Yousef; Sepetcioglu, Harun; Lapčíková, Barbora; Ovsík, Martin; Staněk, Michal; Karagoz, Idris; Vadanagekar, Apurva Shahaji: ABS Nanocomposites for Advanced Technical and Biomedical Applications.. In: Polymers, vol. 17, iss. 7, no. 909, 2025. (DOI)
@article{Lapčík2025,
title = {ABS Nanocomposites for Advanced Technical and Biomedical Applications.},
author = {Lapčík, Lubomír and Vašina, Martin and Murtaja, Yousef and Sepetcioglu, Harun and Lapčíková, Barbora and Ovsík, Martin and Staněk, Michal and Karagoz, Idris and Vadanagekar, Apurva Shahaji},
doi = {10.3390/polym17070909},
year = {2025},
date = {2025-04-20},
urldate = {2025-04-20},
journal = {Polymers},
volume = {17},
number = {909},
issue = {7},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Abylgazina, Leila; Senkovska, Irena; Maliuta, Mariia; Otyepka, Michal; Otyepková, Eva; Brunner, Eike; Kaskel, Stefan: The role of surface deformation on responsivity of the pillared layer metal-organic framework DUT-8(Ni). In: Chem. Sci., vol. 16, iss. 15, pp. 6402-6417, 2025. (DOI)
@article{nokey,
title = {The role of surface deformation on responsivity of the pillared layer metal-organic framework DUT-8(Ni)},
author = {Abylgazina, Leila and Senkovska, Irena and Maliuta, Mariia and Otyepka, Michal and Otyepková, Eva and Brunner, Eike and Kaskel, Stefan},
doi = {10.1039/d4sc08223k},
year = {2025},
date = {2025-04-09},
journal = {Chem. Sci.},
volume = {16},
issue = {15},
pages = {6402-6417},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Qadir, Muhammad I.; Žilková, Naděžda; Kvítek, Libor; Vajda, Štefan: Selective Carbon Dioxide Hydrogenation to Olefin-Rich Hydrocarbons by Cu/FeOx Nanoarchitectures Under Atmospheric Pressure.. In: Nanomaterials, vol. 15, iss. 5, no. 353, 2025. (DOI)
@article{nokey,
title = {Selective Carbon Dioxide Hydrogenation to Olefin-Rich Hydrocarbons by Cu/FeOx Nanoarchitectures Under Atmospheric Pressure.},
author = {Qadir, Muhammad I. and Žilková, Naděžda and Kvítek, Libor and Vajda, Štefan},
doi = {10.3390/nano15050353},
year = {2025},
date = {2025-03-18},
journal = {Nanomaterials},
volume = {15},
number = {353},
issue = {5},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Buzková, Aneta; Hochvaldová, Lucie; Večeřová, Renata; Malina, Tomáš; Petr, Martin; Kaslik, Josef; Kvítek, Libor; Kolář, Milan; Panáček, Aleš; Prucek, Robert: Selenium nanoparticles: influence of reducing agents on particle stability and antibacterial activity at biogenic concentrations.. In: Nanoscale, vol. 17, iss. 13, 2025. (DOI)
@article{Buzková2025,
title = {Selenium nanoparticles: influence of reducing agents on particle stability and antibacterial activity at biogenic concentrations.},
author = {Buzková, Aneta and Hochvaldová, Lucie and Večeřová, Renata and Malina, Tomáš and Petr, Martin and Kaslik, Josef and Kvítek, Libor and Kolář, Milan and Panáček, Aleš and Prucek, Robert},
doi = {10.1039/d4nr05271d},
year = {2025},
date = {2025-03-15},
urldate = {2025-03-15},
journal = {Nanoscale},
volume = {17},
issue = {13},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Vadanagekar, Apurva; Lapčík, Lubomír; Kvítek, Libor; Lapčíková, Barbora: Silica Aerogels as a Promising Vehicle for Effective Water Splitting for Hydrogen Production.. In: Molecules, vol. 30, iss. 6, 2025. (DOI)
@article{Vadanagekar2025,
title = {Silica Aerogels as a Promising Vehicle for Effective Water Splitting for Hydrogen Production.},
author = {Vadanagekar, Apurva and Lapčík, Lubomír and Kvítek, Libor and Lapčíková, Barbora},
doi = {10.3390/molecules30061212},
year = {2025},
date = {2025-03-08},
journal = {Molecules},
volume = {30},
issue = {6},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Storchmannová, Kateřina; Balouch, Martin; Juračka, Jakub; Štěpánek, František; Berka, Karel: Meta-Analysis of Permeability Literature Data Shows Possibilities and Limitations of Popular Methods.. In: Mol. Pharm., vol. 22, iss. 3, pp. 1293-1304, 2025. (DOI)
@article{Storchmannová2025,
title = {Meta-Analysis of Permeability Literature Data Shows Possibilities and Limitations of Popular Methods.},
author = {Storchmannová, Kateřina and Balouch, Martin and Juračka, Jakub and Štěpánek, František and Berka, Karel},
doi = {10.1021/acs.molpharmaceut.4c00975},
year = {2025},
date = {2025-02-20},
urldate = {2025-02-20},
journal = {Mol. Pharm.},
volume = {22},
issue = {3},
pages = {1293-1304},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Beres, Kende Attila; Homonnay, Zoltan; Bereczki, Laura; Petrusevski, Vladimir M.; Farkas, Attila; Czegeny, Zsuzsanna; Nemeth, Peter; Pekker, Peter; Beres-Szilagyi, Fanni; Stryšovský, Tomáš; Kvítek, Libor; Gomory, Agnes; Kotai, Laszlo: Studies on a Urea-Complexed Iron(III) Dichromate, a Precursor of Chromium-Rich Nanospinel Catalysts Prepared for the Reductive Transformation of Carbon Dioxide.. In: Inorg. Chem., vol. 64, iss. 7, pp. 3427-3444, 2025. (DOI)
@article{nokey,
title = {Studies on a Urea-Complexed Iron(III) Dichromate, a Precursor of Chromium-Rich Nanospinel Catalysts Prepared for the Reductive Transformation of Carbon Dioxide.},
author = {Beres, Kende Attila and Homonnay, Zoltan and Bereczki, Laura and Petrusevski, Vladimir M. and Farkas, Attila and Czegeny, Zsuzsanna and Nemeth, Peter and Pekker, Peter and Beres-Szilagyi, Fanni and Stryšovský, Tomáš and Kvítek, Libor and Gomory, Agnes and Kotai, Laszlo},
doi = {10.1021/acs.inorgchem.4c05009},
year = {2025},
date = {2025-02-10},
journal = {Inorg. Chem.},
volume = {64},
issue = {7},
pages = {3427-3444},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Villalobos, Federico; Berger, Jan; Matěj, Adam; Nieman, Reed; anchez-Grande, Ana; Soler, Diego; Sole, Andres Pinar; Lischka, Hans; Matoušek, Mikuláš; Brabec, Jiří: Globally aromatic odd-electron ir-magnetic macrocycle.. In: Chem, vol. 11, iss. 2, 2025. (DOI)
@article{nokey,
title = {Globally aromatic odd-electron ir-magnetic macrocycle.},
author = {Villalobos, Federico and Berger, Jan and Matěj, Adam and Nieman, Reed and anchez-Grande, Ana and Soler, Diego and Sole, Andres Pinar and Lischka, Hans and Matoušek, Mikuláš and Brabec, Jiří},
doi = {10.1016/j.chempr.2024.09.015},
year = {2025},
date = {2025-02-01},
journal = {Chem},
volume = {11},
issue = {2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Štefková, Barbora; Prucek, Robert; Panáček, Aleš; Kvítek, Libor: Preparation of Cellulose-Based Planar Ag Substrates Synthesised Using Tollens' Process: Steps Towards Green SERS.. In: J. Raman Spectrosc., vol. ASAP, 2025. (DOI)
@article{Štefková2025,
title = {Preparation of Cellulose-Based Planar Ag Substrates Synthesised Using Tollens' Process: Steps Towards Green SERS.},
author = {Štefková, Barbora and Prucek, Robert and Panáček, Aleš and Kvítek, Libor},
doi = {10.1002/jrs.6774},
year = {2025},
date = {2025-01-18},
journal = {J. Raman Spectrosc.},
volume = {ASAP},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Yesylevskyy, Semen: MolAR: Memory-Safe Library for Analysis of MD Simulations Written in Rust.. In: J. Comput. Chem., vol. 46, iss. 1, 2025. (DOI)
@article{Yesylevskyy2025,
title = {MolAR: Memory-Safe Library for Analysis of MD Simulations Written in Rust.},
author = {Yesylevskyy, Semen},
doi = {10.1002/jcc.27536},
year = {2025},
date = {2025-01-05},
journal = {J. Comput. Chem.},
volume = {46},
issue = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Zgarbová, Marie; Šponer, Jiří; Jurečka, Petr: Refinement of the Sugar Puckering Torsion Potential in the AMBER DNA Force Field.. In: J. Chem. Theory Comput., vol. 21, iss. 2, pp. 833-846, 2025. (DOI)
@article{Zgarbová2025,
title = { Refinement of the Sugar Puckering Torsion Potential in the AMBER DNA Force Field.},
author = {Zgarbová, Marie and Šponer, Jiří and Jurečka, Petr},
doi = {10.1021/acs.jctc.4c01100},
year = {2025},
date = {2025-01-02},
journal = {J. Chem. Theory Comput.},
volume = {21},
issue = {2},
pages = {833-846},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2024
Berdonces-Layunta, Alejandro; Adam, Matěj; Jiménez-Martín, Alejandro; Lawrence, James; Mohammed, Mohammed S. G; Wang, Tao; Mallada, Benjamin; de la Torre, Bruno; Martínez, Adrian; Vilas-Varela, Manuel; Nieman, Reed; Lischka, Hans; Nachtigallová, Dana; Peña, Diego; Jelínek, Pavel; de Oteyza, Dimas: The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern.. In: Nanoscale, vol. 16, pp. 734-741, 2024. (DOI)
@article{Berdonces-Layunta2024,
title = {The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern.},
author = {Berdonces-Layunta, Alejandro and Adam, Matěj and Jiménez-Martín, Alejandro and Lawrence, James and Mohammed, Mohammed S. G and Wang, Tao and Mallada, Benjamin and de la Torre, Bruno and Martínez, Adrian and Vilas-Varela, Manuel and Nieman, Reed and Lischka, Hans and Nachtigallová, Dana and Peña, Diego and Jelínek, Pavel and de Oteyza, Dimas},
doi = {10.1039/D3NR02933F},
year = {2024},
date = {2024-10-02},
journal = {Nanoscale},
volume = {16},
pages = {734-741},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lapčík, Lubomír; Lapčíková, Barbora; Vašina, Martin; Otyepková, Eva; Rancová, Alexandra; Salek, Nikolaos Richardos; Kvítek, Libor: The influence of surface properties on the cooperative behavior of powdered milks.. In: J. Dairy Sci., vol. ASAP, 2024. (DOI)
@article{Lapčík2024b,
title = {The influence of surface properties on the cooperative behavior of powdered milks.},
author = {Lapčík, Lubomír and Lapčíková, Barbora and Vašina, Martin and Otyepková, Eva and Rancová, Alexandra and Salek, Nikolaos Richardos and Kvítek, Libor
},
doi = {10.3168/jds.2024-25439},
year = {2024},
date = {2024-09-27},
journal = {J. Dairy Sci.},
volume = {ASAP},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Pyrshev, Kyrylo; Allemand, Florentin; Rabani, Vahideh; Yesylevskyy, Semen; Davani, Siamak; Ramseyer, Christophe; Lagoutte-Renosi, Jennifer: Ticagrelor increases its own potency at the P2Y12 receptor by directly changing the plasma membrane lipid order in platelets. In: Br. J. Pharmacol., vol. ASAP, 2024. (DOI)
@article{Pyrshev2024,
title = {Ticagrelor increases its own potency at the P2Y12 receptor by directly changing the plasma membrane lipid order in platelets},
author = {Pyrshev, Kyrylo and Allemand, Florentin and Rabani, Vahideh and Yesylevskyy, Semen and Davani, Siamak and Ramseyer, Christophe and Lagoutte-Renosi, Jennifer},
doi = {10.1111/bph.16500},
year = {2024},
date = {2024-07-22},
journal = {Br. J. Pharmacol.},
volume = {ASAP},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Kajábová, Martina; Stryšovský, Tomáš; Bikbashev, Arkadii; Kovářová, Zuzana; Simkovičová, Karolína; Prucek, Robert; Panáček, Aleš; Novák, Petr; Kopp, Josef; Kašlík, Josef; Petr, Martin; Malara, Angela; Frontera, Patrizia; Takashima, Mai; Vajda, Štefan; Ohtani, Bunsho; Kvítek, Libor: Electron traps as a valuable criterium of iron oxide catalysts' performance in CO2 hydrogenation.. In: J. CO2 Util, vol. 85, no. 102863, 2024. (DOI)
@article{Kajábová2024,
title = {Electron traps as a valuable criterium of iron oxide catalysts' performance in CO2 hydrogenation.},
author = {Kajábová, Martina and Stryšovský, Tomáš and Bikbashev, Arkadii and Kovářová, Zuzana and Simkovičová, Karolína and Prucek, Robert and Panáček, Aleš and Novák, Petr and Kopp, Josef and Kašlík, Josef and Petr, Martin and Malara, Angela and Frontera, Patrizia and Takashima, Mai and Vajda, Štefan and Ohtani, Bunsho and Kvítek, Libor},
doi = {10.1016/j.jcou.2024.102863},
year = {2024},
date = {2024-07-20},
journal = {J. CO2 Util},
volume = {85},
number = {102863},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lamanec, Maximilian; Zienertova, Jitka; Špeťko, Matej; Nachtigallová, Dana; Hobza, Pavel: Similarities and Differences of Hydridic and Protonic Hydrogen Bonding. In: ChemPhysChem , vol. 25, iss. 17, 2024. (DOI)
@article{Lamanec2024,
title = {Similarities and Differences of Hydridic and Protonic Hydrogen Bonding},
author = {Lamanec, Maximilian and Zienertova, Jitka and Špeťko, Matej and Nachtigallová, Dana and Hobza, Pavel},
doi = {10.1002/cphc.202400403},
year = {2024},
date = {2024-07-18},
journal = {ChemPhysChem },
volume = {25},
issue = {17},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hochvaldová, Lucie; Posselt, Gernot; Wessler, Silja; Kvítek, Libor; Panáček, Aleš: Implications of silver nanoparticles for H. pylori infection: modulation of CagA function and signaling.. In: Front. cell. infect. microbiol., vol. 14, no. 1419568, 2024. (DOI)
@article{Hochvaldová2024,
title = {Implications of silver nanoparticles for H. pylori infection: modulation of CagA function and signaling.},
author = {Hochvaldová, Lucie and Posselt, Gernot and Wessler, Silja and Kvítek, Libor and Panáček, Aleš},
doi = {10.3389/fcimb.2024.1419568},
year = {2024},
date = {2024-07-18},
journal = {Front. cell. infect. microbiol.},
volume = {14},
number = {1419568},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sepetcioglu, Harun; Lapčík, Lubomír; Lapčíková, Barbora; Vašina, Martin; Hui, David; Ovsik, Martin; Staněk, Michal; Murtaja, Yousef; Kvítek, Libor; Lapčíková, Tereza; Zmeškal, Oldřich: Improved mechanical properties of graphene-modified basalt fibre-epoxy composites.. In: Nanotechnol. Rev., vol. 13, iss. 1, no. 20240052, 2024. (DOI)
@article{Sepetcioglu2024,
title = {Improved mechanical properties of graphene-modified basalt fibre-epoxy composites.},
author = {Sepetcioglu, Harun and Lapčík, Lubomír and Lapčíková, Barbora and Vašina, Martin and Hui, David and Ovsik, Martin and Staněk, Michal and Murtaja, Yousef and Kvítek, Libor and Lapčíková, Tereza and Zmeškal, Oldřich},
doi = {10.1515/ntrev-2024-0052},
year = {2024},
date = {2024-07-16},
journal = {Nanotechnol. Rev.},
volume = {13},
number = {20240052},
issue = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Neuwirth, Vojtěch; Lapčíková, Barbora; Lapčík, Lubomír; Valenta, Tomáš; Mísková, Zuzana: Effect of technological processing and recipe formulation on the physico-chemical properties of ganaches and chocolate pralines.. In: J. Food Eng., vol. 378, no. 112124, 2024. (DOI)
@article{Neuwirth2024,
title = {Effect of technological processing and recipe formulation on the physico-chemical properties of ganaches and chocolate pralines.},
author = {Neuwirth, Vojtěch and Lapčíková, Barbora and Lapčík, Lubomír and Valenta, Tomáš and Mísková, Zuzana},
doi = {10.1016/j.jfoodeng.2024.112124},
year = {2024},
date = {2024-06-12},
journal = {J. Food Eng.},
volume = {378},
number = {112124},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Odehnalová, Klára; Balouch, Martin; Storchmannová, Kateřina; Petrová, Eliška; Konefal, Magdalena; Zadražil, Aleš; Berka, Karel; Brus, Jiří; Štěpánek, František: Liposomal Copermeation Assay Reveals Unexpected Membrane Interactions of Commonly Prescribed Drugs.. In: Mol. Pharm., vol. 21, iss. 6, pp. 2673-2683, 2024. (DOI)
@article{Odehnalová2024,
title = {Liposomal Copermeation Assay Reveals Unexpected Membrane Interactions of Commonly Prescribed Drugs.},
author = {Odehnalová, Klára and Balouch, Martin and Storchmannová, Kateřina and Petrová, Eliška and Konefal, Magdalena and Zadražil, Aleš and Berka, Karel and Brus, Jiří and Štěpánek, František},
doi = {10.1021/acs.molpharmaceut.3c00766},
year = {2024},
date = {2024-06-09},
journal = {Mol. Pharm.},
volume = {21},
issue = {6},
pages = {2673-2683},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gautam, Shweta; Lapčík, Lubomír; Lapčíková, Barbora: Pharmacological Significance of Boraginaceae with Special Insights into Shikonin and Its Potential in the Food Industry.. In: Foods, vol. 13, iss. 9, no. 1350, 2024. (DOI)
@article{Gautam2024,
title = {Pharmacological Significance of Boraginaceae with Special Insights into Shikonin and Its Potential in the Food Industry.},
author = {Gautam, Shweta and Lapčík, Lubomír and Lapčíková, Barbora},
doi = {10.3390/foods13091350},
year = {2024},
date = {2024-05-20},
journal = {Foods},
volume = {13},
number = {1350},
issue = {9},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lapčíková, Barbora; Lapčík, Lubomír; Valenta, Tomáš; Chvatíková, Marie: Plant-Based Emulsions as Dairy Cream Alternatives: Comparison of Viscoelastic Properties and Colloidal Stability of Various Model Products.. In: Foods, vol. 13, iss. 8, no. 1225, 2024. (DOI)
@article{nokey,
title = {Plant-Based Emulsions as Dairy Cream Alternatives: Comparison of Viscoelastic Properties and Colloidal Stability of Various Model Products.},
author = {Lapčíková, Barbora and Lapčík, Lubomír and Valenta, Tomáš and Chvatíková, Marie},
doi = {10.3390/foods13081225},
year = {2024},
date = {2024-05-10},
urldate = {2024-05-10},
journal = {Foods},
volume = {13},
number = {1225},
issue = {8},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lapčík, Lubomír: Studies on Food Physical Characterization.. In: Foods, vol. 13, iss. 10, no. 1572, 2024. (DOI)
@article{Lapčík2024,
title = {Studies on Food Physical Characterization.},
author = {Lapčík, Lubomír},
doi = {10.3390/foods13101572},
year = {2024},
date = {2024-05-01},
journal = {Foods},
volume = {13},
number = {1572},
issue = {10},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Boutanquoi, Pierre-Marie; Khan, Amira Sayed; Cabeza, Lidia; Jantzen, Lucas; Gautier, Thomas; Yesylevskyy, Semen; Ramseyer, Christophe; Masson, David; Van Waes, Vincent; Hichami, Aziz; Khan, Naim Akhtar: A novel fatty acid analogue triggers CD36-GPR120 interaction and exerts anti-inflammatory action in endotoxemia. In: Cell. Mol. Life Sci., vol. 81, iss. 1, no. 176, 2024. (DOI)
@article{Boutanquoi2024,
title = {A novel fatty acid analogue triggers CD36-GPR120 interaction and exerts anti-inflammatory action in endotoxemia},
author = {Boutanquoi, Pierre-Marie and Khan, Amira Sayed and Cabeza, Lidia and Jantzen, Lucas and Gautier, Thomas and Yesylevskyy, Semen and Ramseyer, Christophe and Masson, David and Van Waes, Vincent and Hichami, Aziz and Khan, Naim Akhtar},
doi = {10.1007/s00018-024-05207-1},
year = {2024},
date = {2024-04-26},
journal = {Cell. Mol. Life Sci.},
volume = {81},
number = {176},
issue = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Jurečka, Petr; Zgarbová, Marie; Černý, Filip; Salomon, Jan: Multistate B- to A- transition in protein-DNA Binding - How well is it described by current AMBER force fields?. In: J. Biomol. Struct. Dyn., vol. ASAP, 2024. (DOI)
@article{Jurečka2024,
title = {Multistate B- to A- transition in protein-DNA Binding - How well is it described by current AMBER force fields?},
author = {Jurečka, Petr and Zgarbová, Marie and Černý, Filip and Salomon, Jan},
doi = {10.1080/07391102.2024.2327539},
year = {2024},
date = {2024-03-01},
journal = {J. Biomol. Struct. Dyn.},
volume = {ASAP},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sarvalkar, Prashant D; Tibe, Arati P; Kamble, Suhas S; Karvekar, Omkar S; Teli, Shivanand B; Powar, Prathmesh S; Kurhe, Deepti N; Nimbalkar, Mansingraj S; Prasad, Neeraj R; Sharma, Kiran Kumar K: Context Sensitive Links 1 of 1 Bio-inspired synthesis of biologically and catalytically active silver chloride-anchored Palladium/Gold/Silver Trimetallic nanoparticles.. In: Catal. Commun., vol. 187, no. 106897, 2024. (DOI)
@article{Sarvalkar2024,
title = { Context Sensitive Links 1 of 1 Bio-inspired synthesis of biologically and catalytically active silver chloride-anchored Palladium/Gold/Silver Trimetallic nanoparticles.},
author = {Sarvalkar, Prashant D and Tibe, Arati P and Kamble, Suhas S and Karvekar, Omkar S and Teli, Shivanand B and Powar, Prathmesh S and Kurhe, Deepti N and Nimbalkar, Mansingraj S and Prasad, Neeraj R and Sharma, Kiran Kumar K},
doi = {10.1016/j.catcom.2024.106897},
year = {2024},
date = {2024-02-07},
journal = {Catal. Commun.},
volume = {187},
number = {106897},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Pocklanová, Radka; Warkad, Indrajeet R; Prucek, Robert; Balzerová, Anna; Panáček, Aleš; Kadam, Ravishankar G; Kvítek, Libor; Gawande, Manoj B: Nanodiamond Supported Ultra-Small Palladium Nanoparticles as an Efficient Catalyst for Suzuki Cross-Coupling Reactions.. In: Catalyst, vol. 14, iss. 1, no. 53, 2024. (DOI)
@article{Pocklanová2024b,
title = {Nanodiamond Supported Ultra-Small Palladium Nanoparticles as an Efficient Catalyst for Suzuki Cross-Coupling Reactions.},
author = {Pocklanová, Radka and Warkad, Indrajeet R and Prucek, Robert and Balzerová, Anna and Panáček, Aleš and Kadam, Ravishankar G and Kvítek, Libor and Gawande, Manoj B},
doi = {10.3390/catal14010053},
year = {2024},
date = {2024-02-05},
journal = {Catalyst},
volume = {14},
number = {53},
issue = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Pocklanová, Radka; Warkad, Indrajeet R.; Prucek, Robert; Balzerová, Anna; Panáček, Aleš; Kadam, Ravishankar G.; Kvítek, Libor; Gawande, Manoj B.: Nanodiamond Supported Ultra-Small Palladium Nanoparticles as an Efficient Catalyst for Suzuki Cross-Coupling Reactions. . In: Catalysts, vol. 14, iss. 1, no. 53, 2024. (DOI)
@article{Pocklanová2024,
title = {Nanodiamond Supported Ultra-Small Palladium Nanoparticles as an Efficient Catalyst for Suzuki Cross-Coupling Reactions. },
author = {Pocklanová, Radka and Warkad, Indrajeet R. and Prucek, Robert and Balzerová, Anna and Panáček, Aleš and Kadam, Ravishankar G. and Kvítek, Libor and Gawande, Manoj B.},
doi = {10.3390/catal14010053},
year = {2024},
date = {2024-02-05},
journal = {Catalysts},
volume = {14},
number = {53},
issue = {1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Frezza, Federico; Matěj, Adam; Sanchez-Grande, Ana; Carrera, Manuel; Mutombo, Pingo; Kumar, Manish; Curiel, David; Jelínek, Pavel: On-Surface Synthesis of a Radical 2D Supramolecular Organic Framework.. In: J. Am. Chem. Soc., vol. 146, iss. 5, pp. 3531-3538, 2024. (DOI)
@article{Frezza2024,
title = {On-Surface Synthesis of a Radical 2D Supramolecular Organic Framework.},
author = {Frezza, Federico and Matěj, Adam and Sanchez-Grande, Ana and Carrera, Manuel and Mutombo, Pingo and Kumar, Manish and Curiel, David and Jelínek, Pavel},
doi = {10.1021/jacs.3c13702},
year = {2024},
date = {2024-01-25},
urldate = {2024-01-25},
journal = {J. Am. Chem. Soc.},
volume = {146},
issue = {5},
pages = {3531-3538},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Voitsitskyi, Taras; Bdzhola, Volodymyr; Stratiichuk, Roman; Koleiev, Ihor; Ostrovsky, Zakhar; Vozniak, Volodymyr; Khropachov, Ivan; Henitsoi, Pavlo; Popryho, Leonid; Zhytar, Roman; Nafiiev, Alan; Starosyla, Serhii: Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets. In: RSC Adv., vol. 14, iss. 2, pp. 1341-1353, 2024. (DOI)
@article{Voitsitskyi2024,
title = {Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets},
author = {Voitsitskyi, Taras and Bdzhola, Volodymyr and Stratiichuk, Roman and Koleiev, Ihor and Ostrovsky, Zakhar and Vozniak, Volodymyr and Khropachov, Ivan and Henitsoi, Pavlo and Popryho, Leonid and Zhytar, Roman and Nafiiev, Alan and Starosyla, Serhii},
doi = {10.1039/d3ra08147h},
year = {2024},
date = {2024-01-12},
journal = {RSC Adv.},
volume = {14},
issue = {2},
pages = {1341-1353},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Špačková, Anna; Vávra, Ondřej; Tomáš Raček, Bazgier; Sehnal, David; Damborský, Jiří; Svobodová, Radka; Bednář, David; Berka, Karel: ChannelsDB 2.0: a comprehensive database of protein tunnels and pores in AlphaFold era.. In: Nucleic Acids Res., vol. 52, iss. D1, no. gkad1012, pp. D413–D418, 2024. (DOI)
@article{Špačková2023,
title = {ChannelsDB 2.0: a comprehensive database of protein tunnels and pores in AlphaFold era.},
author = {Špačková, Anna and Vávra, Ondřej and Raček, Tomáš, Bazgier, Václav and Sehnal, David and Damborský, Jiří and Svobodová, Radka and Bednář, David and Berka, Karel },
doi = {10.1093/nar/gkad1012},
year = {2024},
date = {2024-01-01},
urldate = {2023-11-13},
journal = {Nucleic Acids Res.},
volume = {52},
number = {gkad1012},
issue = {D1},
pages = {D413–D418},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2023
Chasák, Jan; Oorts, Lauren; Dak, Milan; Šlachtová, Veronika; Bazgier, Vaclav; Berka, Karel; De Vooght, Linda; Smiejkowska, Natalia; Van Calster, Kevin; Van Moll, Laurence; Cappoen, Davie; Cos, Paul; Brulíková, Lucie: Expanding the squaramide library as mycobacterial ATP synthase inhibitors: Innovative synthetic pathway and biological evaluation.. In: Bioorg. Med. Chem., vol. 95, no. 117504, 2023. (DOI)
@article{Chasák2023,
title = {Expanding the squaramide library as mycobacterial ATP synthase inhibitors: Innovative synthetic pathway and biological evaluation.},
author = {Chasák, Jan and Oorts, Lauren and Dak, Milan and Šlachtová, Veronika and Bazgier, Vaclav and Berka, Karel and De Vooght, Linda and Smiejkowska, Natalia and Van Calster, Kevin and Van Moll, Laurence and Cappoen, Davie and Cos, Paul and Brulíková, Lucie},
doi = {10.1016/j.bmc.2023.117504},
year = {2023},
date = {2023-11-15},
journal = {Bioorg. Med. Chem.},
volume = {95},
number = {117504},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Majka, Maciej; Eva Jakobson Janáková, Irena; Jarve, Kadri; Cápal, Petr; Korchanová, Zuzana; Lampar, Adam; Juračka, Jakub; Valarik, Miroslav: The chromatin determinants and Ph1 gene effect at wheat sites with contrasting recombination frequency.. In: J. Adv. Res., vol. 53, no. 75-85, 2023. (DOI)
@article{Majka2023,
title = {The chromatin determinants and Ph1 gene effect at wheat sites with contrasting recombination frequency.},
author = {Majka, Maciej and Janáková, Eva Jakobson, Irena and Jarve, Kadri and Cápal, Petr and Korchanová, Zuzana and Lampar, Adam and Juračka, Jakub and Valarik, Miroslav},
doi = {10.1016/j.jare.2023.01.002},
year = {2023},
date = {2023-11-01},
journal = {J. Adv. Res.},
volume = {53},
number = {75-85},
keywords = {},
pubstate = {published},
tppubtype = {article}
}

