J. Matúska

发表

Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus

M. Jablonský, M. Pitoňák, Marián Gall, 2022, Biophysical Chemistry.

An efficient and accurate method to calculate diffusion coefficient of structured particles. A first case study of Pb diffusion in rare gases

J. Matúska, 2016 .

Theoretical Insight on Model Linear Oligomers and Their Ring-fused Analogues Used in Organic Electronics

J. Matúska, D. Cagardová, ir Lu Martin Michalík, 2022, Materials Today Communications.

Impact of molecular chain length on polarizabilities of model acenes and oligomers

J. Matúska, D. Cagardová, Matej Uhliar, 2022, Acta Chimica Slovaca.

Design of Novel Generations of Planar Sunflower Molecules: Theoretical Comparative Study of Electronic Structure and Charge Transport Characteristics

Vladimír Lukes, Peter Poliak, J. Matúska, 2019, The Journal of Physical Chemistry C.

Formation and fragmentation of the tungsten clusters in gas phase

J. Urban, Ivan Sukuba, J. Matúska, 2019, Journal of Molecular Modeling.

Numerical simulation of a trochoidal electron monochromator

Š. Matejčík, D. Kubala, J. Matúska, 2008 .

Specific O₂⁻ generation in corona discharge for ion mobility spectrometry.

Š. Matejčík, M. Sabo, J. Matúska, 2011, Talanta.

Rate constants of electron attachment to chlorobenzenes measured by atmospheric pressure nitrogen corona discharge electron attachment ion mobility spectrometry

Š. Matejčík, Hu Chaoqun, Y. Chu, 2011 .

Theoretical comparative study of promising semiconducting aromatic molecules and their fluorinated counterparts

Vladimír Lukes, Peter Poliak, M. Michalík, 2020 .

Machine learning prediction of 3CLpro SARS-CoV-2 docking scores

D. Végh, M. Pitoňák, Marián Gall, 2022, Computational Biology and Chemistry.

Ab initio X(1)0(+) ground state potential curves of Pb···RG dimers (RG = He, Ne, Ar) including spin-orbit effects. Simulation of diffusion coefficients.

V. Sládek, Vladimír Lukes, L. Bučinský, 2014, Physical chemistry chemical physics : PCCP.

Advances and critical assessment of machine learning techniques for prediction of docking scores

M. Pitoňák, Marián Gall, L. Bučinský, 2023, International Journal of Quantum Chemistry.

On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study

Vladimír Lukes, Peter Poliak, J. Matúska, 2019, Acta Chimica Slovaca.