| Reverse polarity reductive functionalization of tertiary amides via a dual iridium-catalyzed hydrosilylation and single electron transfer strategy T Rogova, P Gabriel, S Zavitsanou, JA Leitch, F Duarte, DJ Dixon ACS Catalysis 10 (19), 11438-11447, 2020 | 43 | 2020 |
| Selectivity in organocatalysis—From qualitative to quantitative predictive models AJ Sterling, S Zavitsanou, J Ford, F Duarte Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1518, 2021 | 28 | 2021 |
| FEPrepare: A web-based tool for automating the setup of relative binding free energy calculations S Zavitsanou, A Tsengenes, M Papadourakis, G Amendola, ... Journal of Chemical Information and Modeling 61 (9), 4131-4138, 2021 | 16 | 2021 |
| Wiley Interdiscip AJ Sterling, S Zavitsanou, J Ford, F Duarte Rev.: Comput. Mol. Sci 1518, 2021 | 5 | 2021 |
| MDLab: AI frameworks for carbon capture and battery materials B Elmegreen, HF Hamann, B Wunsch, T Van Kessel, B Luan, T Elengikal, ... Frontiers in Environmental Science, 2023 | 1 | 2023 |
| Machine Guided Discovery of Novel Carbon Capture Solvents T Van Kessel, F Cipcigan, J Mcdonagh, B Wunsch, B Elmegreen, ... American Chemical Society (ACS) Fall Meeting, 2023 | 1 | 2023 |
| Chemical space analysis and property prediction for carbon capture amine molecules J McDonagh, S Zavitsanou, A Harrison, D Zubarev, B Wunsch, ... | 1 | 2023 |
| Machine Guided Discovery of Novel Carbon Capture Solvents JL McDonagh, BH Wunsch, S Zavitsanou, A Harrison, B Elmegreen, ... arXiv preprint arXiv:2303.14223, 2023 | 1 | 2023 |
| Automating Free Energy Perturbation Calculations For Drug Design SN Zavitsanou Department of Informatics and Telecommunication, 2018 | 1 | 2018 |
| PythiaCHEM: a user-friendly machine learning toolkit for chemistry S Zavitsanou, Z Bo, E Casali, M Langton, F Duarte | | 2024 |
| Chemical space analysis and property prediction for carbon capture solvent molecules JL McDonagh, S Zavitsanou, A Harrison, D Zubarev, T van Kessel, ... Digital Discovery, 2024 | | 2024 |
| FEATURIZATION OF CARBON DIOXIDE CAPTURE CHARACTERISTICS IN MOLECULES J Mcdonagh, S Zavitsanou, A Harrison, F Cipcigan, D Zubarev US Patent App. 17/653,897, 2023 | | 2023 |
| Accelerated Discovery of Novel Solvents for CO2 Capture B Wunsch, S Gifford, T Van Kessel, F Cipcigan, J McDonagh, D Zubarev, ... Materials Research Society (MRS) Fall Meeting, 2021 | | 2021 |
| Computational and experimental design of solvents for CO2 capture F Cipcigan, J McDonagh, S Gifford, B Wunsch, A Harrison, D Zubarev, ... American Chemical Society (ACS) Fall Meeting, 2021 | | 2021 |
| Reverse Polarity Reductive Functionalization of Tertiary Amides via a Dual Iridium Catalyzed Hydrosilylation & SET Strategy T Rogova, P Gabriel, S Zavitsanou, J Leitch, F Duarte, DJ Dixon | | 2020 |
| http://feprepare. vi-seem. eu S Zavitsanou, A Tsengenes, Z Cournia | | |
