Leonid Komissarov
9PUBLICATIONS
15CO-AUTHORS
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Publications (9)
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|Jul 17, 2025
Explainable Graph Neural Networks in Chemistry: Combining Attribution and Uncertainty Quantification.Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden
|Aug 12, 2024
Actionable Predictions of Human Pharmacokinetics at the Drug Design Stage.Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden
|Feb 15, 2024
Piperazine-Fused Cyclic Disulfides Unlock High-Performance Bioreductive Probes of Thioredoxins and Bifunctional Reagents for Thiol Redox Biology.Lukas Zeisel, Jan G Felber, Karoline C Scholzen
|Apr 03, 2023
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.Lukas Krep, Felix Schmalz, Florian Solbach
|Dec 30, 2022
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development.Leonid Komissarov, Lukas Krep, Felix Schmalz
|Dec 13, 2022
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.Lukas Krep, Felix Schmalz, Florian Solbach
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Frequent Collaborators
6 joint publications
Toon Verstraelen
3 joint publications
Lukas Krep
3 joint publications
Felix Schmalz
3 joint publications
Wassja A Kopp
3 joint publications
Kai Leonhard
2 joint publications
Florian Solbach
2 joint publications
Thomas Nevolianis
2 joint publications
Nenad Manevski
1 joint publications
Matti Hellström
1 joint publications
Lukas Zeisel
