Marek Steklac
Bratislava, BL, Slovakia
Last Updated: 09/26/2026
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Found 9 publications
Exploring the Interaction of Flavonoids Baicalein and Scutellarein With Human Serum Albumin: Spectroscopic and Computational Study.
Journal: ChemPlusChem
Published: May 27, 2026
Integrated computational protocol for sampling molecular databases towards allosteric inhibition of SARS-CoV-2 spike activation.
Journal: Journal of biomolecular structure & dynamics
Published: May 08, 2026
Ligand Conformational Variability Enhances Machine Learning Prediction of Protein-Ligand Binding Affinity.
Journal: The journal of physical chemistry. B
Published: March 20, 2026
Antioxidant effect, DNA-binding, and transport of the flavonoid acacetin influenced by the presence of redox-active Cu(II) ion: Spectroscopic and in silico study.
Journal: Journal of inorganic biochemistry
Published: September 29, 2024
SchNetPack Hyperparameter Optimization for a More Reliable Top Docking Scores Prediction.
Journal: The journal of physical chemistry. B
Published: May 11, 2024
Compromise in Docking Power of Liganded Crystal Structures of Mpro SARS-CoV-2 Surpasses 90% Success Rate.
Journal: Journal of chemical information and modeling
Published: February 26, 2024
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus.
Journal: Biophysical chemistry
Published: March 30, 2022
Machine learning prediction of 3CLpro SARS-CoV-2 docking scores.
Journal: Computational biology and chemistry
Published: October 22, 2021
3CLpro and PLpro affinity, a docking study to fight COVID19 based on 900 compounds from PubChem and literature. Are there new drugs to be found?
Journal: Journal of molecular structure
Published: February 10, 2021
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Last Updated: 09/26/2026