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Lukas Bucinsky

17PUBLICATIONS

40CO-AUTHORS

Biomolecular modelling and designSupramolecular chemistryTheoretical quantum chemistryDeep learningTransition metal chemistry

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Publications (17)

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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

|Oct 27, 2025

Cr(I)-Cr(I) Terphenyl Bridged Complexes: A Broken-Symmetry DFT and Multideterminant CASSCF/NEVPT2 Handshake.

Andrej Hlinčík, Michal Malček, Karol Lušpai

|Feb 26, 2025

Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?

Andrej Hlinčík, Lukáš Bučinský, Martin Breza

|May 11, 2024

SchNetPack Hyperparameter Optimization for a More Reliable Top Docking Scores Prediction.

Ján Matúška, Lukas Bucinsky, Marián Gall

|Apr 01, 2024

Chemical and Redox Noninnocence of Pentane-2,4-dione Bis(<i>S</i>-methylisothiosemicarbazone) in Cobalt Complexes and Their Application in Wacker-Type Oxidation.

Vincent Porte, Miljan N M Milunovic, Ulrich Knof

|Feb 26, 2024

Compromise in Docking Power of Liganded Crystal Structures of M<sup>pro</sup> SARS-CoV-2 Surpasses 90% Success Rate.

Dávid Zajaček, Adriána Dunárová, Lukas Bucinsky

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Frequent Collaborators

5 joint publications

Michal Zalibera

5 joint publications

Vladimir B Arion

4 joint publications

Joshua Telser

3 joint publications

Marek Štekláč

2 joint publications

Jeremy M Smith

2 joint publications

Martin Breza

2 joint publications

J Krzystek

2 joint publications

Ghenadie Novitchi

2 joint publications

Peter Herich

2 joint publications

Michal Malček

Frequent Collaborators

5 joint publications

Michal Zalibera

5 joint publications

Vladimir B Arion

4 joint publications

Joshua Telser

3 joint publications

Marek Štekláč

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