| 3-Chlorooxindoles: Versatile Starting Materials for Asymmetric Organocatalytic Synthesis of Spirooxindoles. A Noole, M Ošeka, T Pehk, M Oeeren, I Jaerving, MRJ Elsegood, ... Advanced Synthesis & Catalysis 355 (5), 2013 | 103 | 2013 |
| Chiral hemicucurbit [8] uril as an anion receptor: selectivity to size, shape and charge distribution S Kaabel, J Adamson, F Topić, A Kiesilä, E Kalenius, M Öeren, ... Chemical Science 8 (3), 2184-2190, 2017 | 79 | 2017 |
| Template-controlled synthesis of chiral cyclohexylhemicucurbit [8] uril E Prigorchenko, M Öeren, S Kaabel, M Fomitšenko, I Reile, I Järving, ... Chemical Communications 51 (54), 10921-10924, 2015 | 59 | 2015 |
| Asymmetric diastereoselective synthesis of spirocyclopropane derivatives of oxindole M Ošeka, A Noole, S Žari, M Öeren, I Järving, M Lopp, T Kanger European Journal of Organic Chemistry 2014 (17), 3599-3606, 2014 | 35 | 2014 |
| Thiourea-catalyzed domino Michael–Mannich [3+ 2] cycloadditions: A strategy for the asymmetric synthesis of 3, 3′-pyrrolidinyl-dispirooxindoles Y Zhi, K Zhao, C von Essen, K Rissanen, D Enders Synlett 28 (20), 2876-2880, 2017 | 33 | 2017 |
| Computational and ion mobility MS study of (all-S)-cyclohexylhemicucurbit [6] uril structure and complexes M Öeren, E Shmatova, T Tamm, R Aav Physical Chemistry Chemical Physics 16 (36), 19198-19205, 2014 | 28 | 2014 |
| New homologues of chiral cyclohexylhemicucurbit[n]urils M Fomitšenko, E Shmatova, M Öeren, I Järving, R Aav Supramolecular Chemistry 26 (9), 698-703, 2014 | 21 | 2014 |
| An open drug discovery competition: experimental validation of predictive models in a series of novel antimalarials EG Tse, L Aithani, M Anderson, J Cardoso-Silva, G Cincilla, GJ Conduit, ... Journal of Medicinal Chemistry 64 (22), 16450-16463, 2021 | 19 | 2021 |
| Predicting reactivity to drug metabolism: beyond P450s—modelling FMOs and UGTs M Öeren, PJ Walton, PA Hunt, DJ Ponting, MD Segall Journal of Computer-Aided Molecular Design 35 (4), 541-555, 2021 | 17 | 2021 |
| Organocatalytic asymmetric addition of malonates to unsaturated 1, 4-diketones S Žari, T Kailas, M Kudrjashova, M Öeren, I Järving, T Tamm, M Lopp, ... Beilstein Journal of Organic Chemistry 8 (1), 1452-1457, 2012 | 16 | 2012 |
| Predicting regioselectivity of AO, CYP, FMO, and UGT metabolism using quantum mechanical simulations and machine learning M Oeren, PJ Walton, J Suri, DJ Ponting, PA Hunt, MD Segall Journal of Medicinal Chemistry 65 (20), 14066-14081, 2022 | 15 | 2022 |
| Transferable machine learning interatomic potential for bond dissociation energy prediction of drug-like molecules E Gelzinyte, M Öeren, MD Segall, G Csányi Journal of Chemical Theory and Computation 20 (1), 164-177, 2023 | 12 | 2023 |
| Dynamic chiral cyclohexanohemicucurbit [12] uril KA Mishra, J Adamson, M Öeren, S Kaabel, M Fomitšenko, R Aav Chemical Communications 56 (93), 14645-14648, 2020 | 11 | 2020 |
| Asymmetric organocatalytic cascade synthesis of tetrahydrofuranyl spirooxindoles D Trubitsõn, S Žari, S Kaabel, M Kudrjashova, K Kriis, I Järving, T Pehk, ... Synthesis 50 (02), 314-322, 2018 | 8 | 2018 |
| predicting regioselectivity of cytosolic Sulfotransferase metabolism for drugs M Öeren, SC Kaempf, DJ Ponting, PA Hunt, MD Segall Journal of Chemical Information and Modeling 63 (11), 3340-3349, 2023 | 4 | 2023 |
| Binding Between Cyclohexanohemicucurbit[n]urils and Polar Organic Guests L Ustrnul, T Burankova, M Öeren, K Juhhimenko, J Ilmarinen, K Siilak, ... Frontiers in Chemistry 9, 701028, 2021 | 4 | 2021 |
| Predicting routes of phase I and II metabolism based on quantum mechanics and machine learning M Öeren, PA Hunt, CE Wharrick, H Tabatabaei Ghomi, MD Segall Xenobiotica 54 (7), 379-393, 2024 | 1 | 2024 |
| Mechanochemically-Driven Self-Assembly of a Chiral Mono-Biotinylated Hemicucurbit [8] uril E Suut-Tuule, T Jarg, P Tikker, KM Lootus, J Martõnova, R Reitalu, ... | 1 | 2024 |
| Mechanisms and predictions of UGT metabolism M Öeren, P Hunt, D Ponting, M Segall Optibrium Community, 2019 | 1 | 2019 |
| N-and S-oxidation model of the Flavin-containing monooxygenases P Walton, M Öeren, P Hunt, M Segall Optibrium Community, 2019 | 1 | 2019 |
