Michal Pitoňák
4PUBLICATIONS
7CO-AUTHORS
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Publications (4)
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|Mar 20, 2026
Ligand Conformational Variability Enhances Machine Learning Prediction of Protein-Ligand Binding Affinity.Ádám Lévárdi, Ján Matúška, Lukas Bucinsky
|Sep 02, 2024
DFT Modeling of Polyethylene Chains Cross-linked by Selected <i>n</i>s<sup>1</sup> and <i>n</i>s<sup>2</sup> Metal Atoms.Dávid Vrška, Miroslav Urban, Pavel Neogrády
|May 15, 2024
Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels.Dávid Vrška, Michal Pitoňák, Tomáš Bučko
|May 11, 2024
SchNetPack Hyperparameter Optimization for a More Reliable Top Docking Scores Prediction.Ján Matúška, Lukas Bucinsky, Marián Gall
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