Publications
M. Nalepa, L. Kulla, P. Jakubec, V. Hrubý, D. Panáček, I. Dědek, M. Vasjari and M. Otyepka
"Scalable Fabrication of Electrochemical Sensors Via Inkjet Printing of Functionalized Graphene for Pesticide Detection",
ADVANCED MATERIALS TECHNOLOGIES, vol. 11, iss. 1, article no. e01765, 2026.
IF = 6
ADVANCED MATERIALS TECHNOLOGIES, vol. 11, iss. 1, article no. e01765, 2026.
IF = 6
CATRIN-MAT
DOI: 10.1002/admt.202501765
M. Shahrezaei, S. Kalytchuk, V. Šedajová, Z. Badura, L. Zdražil, M. Afshar, R. Zbořil, S. Kment and S. Rej
"Oxygen Vacancy-Induced Strong Coordination of Carbon Dots with TiO
2
for Enhanced Photocatalytic Hydrogen Production",
ENERGY & FUELS, vol. 40, iss. 17, pp. 9630-9640, 2026.
IF = 6
ENERGY & FUELS, vol. 40, iss. 17, pp. 9630-9640, 2026.
IF = 6
CATRIN-MAT
DOI: 10.1021/acs.energyfuels.6c00577
A. Cheruvathoor Poulose, H. Bares, D. Zaoralová, I. Dědek, M. Otyepka, A. Bakandritsos and R. Zbořil
"Aminosulfonated Graphene as a Catalyst for Efficient Production of Biodiesel from Fatty Acids and Crude Vegetable Oils",
CHEMSUSCHEM, vol. 18, iss. 12, pp. e202402488, 2025.
IF = 5.9
CHEMSUSCHEM, vol. 18, iss. 12, pp. e202402488, 2025.
IF = 5.9
CATRIN-MAT
DOI: 10.1002/cssc.202402488
P. Kührová, V. Mlýnský, I. Frébort, J. Frébortová, M. Otyepka, J. Šponer and P. Banáš
"Toward Accurate RNA Folding Thermodynamics: Evaluation of Enhanced Sampling Methods for Force Field Benchmarking",
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 22, iss. 10, pp. 5247-5258, 2026.
IF = 5.8
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 22, iss. 10, pp. 5247-5258, 2026.
IF = 5.8
CATRIN-MAT
CATRIN-BIO
DOI: 10.1021/acs.jctc.6c00108
M. Krepl, V. Mlýnský, A. Rusnáková, P. Banáš, M. Otyepka and J. Šponer
"Destabilization of Structured RNAs by OPC and TIP4PD Water Models",
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 22, iss. 4, pp. 2013-2027, 2026.
IF = 5.8
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 22, iss. 4, pp. 2013-2027, 2026.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acs.jctc.5c01678
L. R. Kjølbye, M. Valério, M. Paloncýová, L. Borges-Araújo, R. Pestana-Nobles, F. Grünewald, B. M. H. Bruininks, R. Araya-Osorio, M. Šrejber, R. Mera-Adasme, L. Monticelli, S. J. Marrink, M. Otyepka, S. Wu and P. C. T. Souza
"Martini 3 Building Blocks for Lipid Nanoparticle Design",
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 22, iss. 2, pp. 1069-1091, 2026.
IF = 5.8
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 22, iss. 2, pp. 1069-1091, 2026.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acs.jctc.5c01207
M. Jendrišák, M. Nalepa, V. Hrubý, P. Jakubec, I. Dědek, V. Kupka, J. Urbánek, D. Panáček and M. Otyepka
"Deposition methods govern the electrochemical performance of graphene-derivative functionalized screen-printed electrodes: A practical framework for electrode surface characterization",
ELECTROCHIMICA ACTA, vol. 565, pp. 148780, 2026.
IF = 5.8
ELECTROCHIMICA ACTA, vol. 565, pp. 148780, 2026.
IF = 5.8
CATRIN-MAT
DOI: 10.1016/j.electacta.2026.148780
S. S. Banerjee, R. G. Kadam, J. Filip, S. Jiang, J. T. Miller, M. B. Gawande and R. Zbořil
"Graphene-Based Single-Atom Catalyst Nanobots for Advanced Water Treatment",
ACS APPLIED NANO MATERIALS, vol. 9, iss. 12, pp. 5446-5454, 2026.
IF = 5.8
ACS APPLIED NANO MATERIALS, vol. 9, iss. 12, pp. 5446-5454, 2026.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acsanm.5c05798
V. Mlýnský, P. Kührová, G. Bussi, M. Otyepka, J. Šponer and P. Banáš
"From gHBfix to NBfix: Reweighting-Driven Refinement of Hydrogen-Bond Interactions in RNA Force Fields",
Journal of Chemical Theory and Computation, vol. 22, iss. 17, pp. 9154-9166, 2026.
IF = 5.8
Journal of Chemical Theory and Computation, vol. 22, iss. 17, pp. 9154-9166, 2026.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acs.jctc.6c00924
T. Lemmens, V. Mlýnský, J. Šponer, M. Pykal, P. Banáš, M. Otyepka, M. Krepl
"The Kink-Turn 7 Motif: An Additional Test for RNA Force Field Performance",
Journal of Chemical Theory and Computation, vol. 21, iss. 24, pp. 12796-12809, 2025.
IF = 5.8
Journal of Chemical Theory and Computation, vol. 21, iss. 24, pp. 12796-12809, 2025.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acs.jctc.5c00776
V. Mlýnský, P. Kührová, M. Pykal, M. Krepl, P. Stadlbauer, M. Otyepka, P. Banáš, J. Šponer
"Can We Ever Develop an Ideal RNA Force Field? Lessons Learned from Simulations of the UUCG RNA Tetraloop and Other Systems",
Journal of Chemical Theory and Computation, vol. 21, iss. 8, pp. 4183-4202, 2025.
IF = 5.8
Journal of Chemical Theory and Computation, vol. 21, iss. 8, pp. 4183-4202, 2025.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acs.jctc.4c01357
I. Tantis, D. D. Chronopoulos, V. Hrubý, N. Chalmpes, O. Tomanec, A. Bakandritsos and E. P. Giannelis
"Synthesis of Picolylamine-Functionalized Graphene via Fluorographene Chemistry for High-Performance Symmetric Supercapacitors",
ACS APPLIED NANO MATERIALS, vol. 8, iss. 31, pp. 15485-15494, 2025.
IF = 5.8
ACS APPLIED NANO MATERIALS, vol. 8, iss. 31, pp. 15485-15494, 2025.
IF = 5.8
CATRIN-MAT
DOI: 10.1021/acsanm.5c02131
B. B. Prudilová, R. Gabriel, M. Otyepka, E. Otyepková
"Controlled Crystallization Enables Facile Fine-Tuning of Physical–Chemical Properties of Nicergoline Toward Easier Processability",
Pharmaceuticals, vol. 18, iss. 10, pp. 1465, 2025.
IF = 5.7
Pharmaceuticals, vol. 18, iss. 10, pp. 1465, 2025.
IF = 5.7
CATRIN-MAT
CATRIN-BIO
DOI: 10.3390/ph18101465
M. M. Mohammed, H. N. Awl, Z. M. Rashid, R. H. Mahmud, Y. I. Abdulkarim
"Simulated Study of a Broadband Terahertz Metamaterial Absorber Based on Vanadium Dioxide Resonator for Cancer Detection Applications",
Plasmonics, vol. 20, iss. 10, pp. 9225-9236, 2025.
IF = 5.6
Plasmonics, vol. 20, iss. 10, pp. 9225-9236, 2025.
IF = 5.6
CATRIN-MAT
DOI: 10.1007/s11468-025-02938-0
B. Knappeová, V. Mlýnský, M. Pykal, J. Šponer, P. Banáš, M. Otyepka and M. Krepl
"Comprehensive Assessment of Force-Field Performance in Molecular Dynamics Simulations of DNA/RNA Hybrid Duplexes",
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 20, iss. 15, pp. 6917-6929, 2024.
IF = 5.5
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 20, iss. 15, pp. 6917-6929, 2024.
IF = 5.5
CATRIN-MAT
DOI: 10.1021/acs.jctc.4c00601
S. M. H. Hejazi, M. Shahrezaei, S. Kalytchuk, J. Kašlík, V. Kupka, A. Zollo, M. Chiesa, S. Livraghi, R. Zbořil, M. Altomare, Š. Kment and A. Naldoni
"Suppressing Charge Recombination by Engineering Homojunctions in Brookite TiO2 Nanorods for Enhanced Photocatalytic Hydrogen Evolution",
ACS APPLIED ENERGY MATERIALS, vol. 7, iss. 20, pp. 9422-9432, 2024.
IF = 5.5
ACS APPLIED ENERGY MATERIALS, vol. 7, iss. 20, pp. 9422-9432, 2024.
IF = 5.5
CATRIN-MAT
DOI: 10.1021/acsaem.4c01950
S. Ntousi, M. Pykal, M. Gatou, V. Hrubý, P. Papakyriakopoulou, S. Kalytchuk, T. Aivaliotis, N. Lagopati, P. Pantelis, E. A. Pavlatou, V. G. Gorgoulis, N. Pippa and D. D. Chronopoulos
"Fluorographene-derived colloidal dispersions for donepezil delivery: From chemical synthesis to engineering of drug carriers",
COLLOIDS AND SURFACES A: PHYSICOCHEMICAL AND ENGINEERING ASPECTS, vol. 732, article no. 139225, 2026.
IF = 5.4
COLLOIDS AND SURFACES A: PHYSICOCHEMICAL AND ENGINEERING ASPECTS, vol. 732, article no. 139225, 2026.
IF = 5.4
CATRIN-MAT
DOI: 10.1016/j.colsurfa.2025.139225
K. Gajdošová, T. Bui, Z. Chaloupková, S. M. H. Hejazi, R. Zbořil, Š. Kment, V. Ranc and K. Poláková
"Precise and simultaneous SERS detection of sertraline and serotonin on large-scale sub-20 nm plasmonic gold nanocone arrays",
MICROCHIMICA ACTA, vol. 193, iss. 7, article no. 450, 2026.
IF = 5.4
MICROCHIMICA ACTA, vol. 193, iss. 7, article no. 450, 2026.
IF = 5.4
CATRIN-MAT
DOI: 10.1007/s00604-026-08164-7