| Methanol adsorption on monocrystalline ceria surfaces C Yang, F Bebensee, A Nefedov, C Wöll, T Kropp, L Komissarov, ... Journal of catalysis 336, 116-125, 2016 | 41 | 2016 |
| Computational Predictions of Nonclinical Pharmacokinetics at the Drug Design Stage R Stoyanova, PM Katzberger, L Komissarov, A Khadhraoui, ... Journal of Chemical Information and Modeling 63 (2), 442-458, 2023 | 13 | 2023 |
| ParAMS: Parameter Optimization for Atomistic and Molecular Simulations L Komissarov, R Rüger, M Hellström, T Verstraelen Journal of Chemical Information and Modeling 61 (8), 3737–3743, 2021 | 13 | 2021 |
| Improving the Silicon Interactions of GFN-xTB L Komissarov, T Verstraelen Journal of Chemical Information and Modeling 61 (12), 5931-5937, 2021 | 7 | 2021 |
| Piperazine-Fused Cyclic Disulfides Unlock High-Performance Bioreductive Probes of Thioredoxins and Bifunctional Reagents for Thiol Redox Biology L Zeisel, JG Felber, KC Scholzen, C Schmitt, AJ Wiegand, L Komissarov, ... Journal of the American Chemical Society, 2024 | 4* | 2024 |
| A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes L Krep, F Schmalz, F Solbach, L Komissarov, T Nevolianis, WA Kopp, ... ChemPhysChem 24 (7), e202300135, 2023 | 3 | 2023 |
| Zeo-1, a computational data set of zeolite structures L Komissarov, T Verstraelen Scientific Data 9 (1), 61, 2022 | 3 | 2022 |
| A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development L Komissarov, L Krep, F Schmalz, WA Kopp, K Leonhard, T Verstraelen ChemPhysChem 24 (8), e202200786, 2023 | 2 | 2023 |
| Front Cover: A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition … L Krep, F Schmalz, F Solbach, L Komissarov, T Nevolianis, WA Kopp, ... ChemPhysChem 24 (7), e202300136, 2023 | | 2023 |
| Optimizing potential energy surface models LM Komissarov Ghent University, 2022 | | 2022 |
Toon VerstraelenCenter for Molecular Modeling, Ghent UniverstyVerified email at UGent.be
