Publikace

Publikační činnost na KFC

2026

1.
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)

 

2.
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)

 

3.
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)

 

4.
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)

 

5.
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)

 

6.
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)

 

7.
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)

 

8.

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)

 

9.

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)

 

10.

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)

 

11.

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)

 

12.

Andrýsková, Pavlína; Prucek, Robert: Multimetallic nanostructures: innovations and applications in environmental remediation, biosensing, and medical technologies.. In: Nanoscale, vol. ASAP, 2026. (DOI)

 

13.

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)

2025

14.

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)

 

15.

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)

 

16.

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)

 

17.

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)

 

18.

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)

 

19.

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)

 

20.

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)

 

21.

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)

 

22.

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)

 

23.

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)

 

24.

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)

 

25.

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)

 

26.

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)

 

27.

Yesylevskyy, Semen: MolAR: Memory-Safe Library for Analysis of MD Simulations Written in Rust.. In: J. Comput. Chem., vol. 46, iss. 1, 2025. (DOI)

 

28.

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)

2024

29.

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)

 

30.

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)

 

31.

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)

 

32.

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)

 

33.

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)

 

34.

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)

 

35.

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)

 

36.

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)

 

37.

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)

 

38.

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)

 

39.

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)

 

40.

Lapčík, Lubomír: Studies on Food Physical Characterization.. In: Foods, vol. 13, iss. 10, no. 1572, 2024. (DOI)

 

41.

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)

 

42.

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)

 

43.

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)

 

44.

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)

 

45.

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)

 

46.

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)

 

47.

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)

 

48.

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)

2023

49.

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)

 

50.

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)