Publications by authors named "Marian Gall"

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SchNetPack Hyperparameter Optimization for a More Reliable Top Docking Scores Prediction.
Ján Matúška, Lukas Bucinsky, Marián Gall, Michal Pitoňák, Marek Štekláč

J Phys Chem B· May 2024

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Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus.
Michal Jablonský, Marek Štekláč, Veronika Majová, Marián Gall, Ján Matúška

Biophys Chem· September 2022

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Machine learning prediction of 3CL SARS-CoV-2 docking scores.
Lukas Bucinsky, Dušan Bortňák, Marián Gall, Ján Matúška, Viktor Milata

Comput Biol Chem· June 2022

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Mathematical modeling based on RT-qPCR analysis of SARS-CoV-2 in wastewater as a tool for epidemiology.
Naďa Krivoňáková, Andrea Šoltýsová, Michal Tamáš, Zdenko Takáč, Ján Krahulec, Marián Gall

Sci Rep· September 2021

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Coordination bonding in dicopper and dichromium tetrakis(μ-acetato)-diaqua complexes: Nature, strength, length, and topology.
Michal Malček, Barbora Vénosová, Ingrid Puškárová, Jozef Kožíšek, Marián Gall

J Comput Chem· March 2020

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