| Insights into the mechanistic basis of plasmid-mediated colistin resistance from crystal structures of the catalytic domain of MCR-1 P Hinchliffe, QE Yang, E Portal, T Young, H Li, CL Tooke, MJ Carvalho, ... Scientific reports 7 (1), 39392, 2017 | 143 | 2017 |
| autodE: automated calculation of reaction energy profiles—application to organic and organometallic reactions TA Young, JJ Silcock, AJ Sterling, F Duarte Angewandte Chemie 133 (8), 4312-4320, 2021 | 75 | 2021 |
| Host–guest-induced electron transfer triggers radical-cation catalysis RL Spicer, AD Stergiou, TA Young, F Duarte, MD Symes, PJ Lusby Journal of the American Chemical Society 142 (5), 2134-2139, 2020 | 75 | 2020 |
| Rationalizing the activity of an “Artificial Diels-Alderase”: Establishing efficient and accurate protocols for calculating supramolecular catalysis TA Young, V Martí-Centelles, J Wang, PJ Lusby, F Duarte Journal of the American Chemical Society 142 (3), 1300-1310, 2019 | 72 | 2019 |
| A Simple and Broadly Applicable C− N Bond Forming Dearomatization Protocol Enabled by Bifunctional Amino Reagents X Ma, JJ Farndon, TA Young, N Fey, JF Bower Angewandte Chemie 129 (46), 14723-14727, 2017 | 71 | 2017 |
| Synergistic noncovalent catalysis facilitates base-free Michael addition J Wang, TA Young, F Duarte, PJ Lusby Journal of the American Chemical Society 142 (41), 17743-17750, 2020 | 54 | 2020 |
| Catalytic asymmetric synthesis of cyclohexanes by hydrogen borrowing annulations RJ Armstrong, WM Akhtar, TA Young, F Duarte, TJ Donohoe Angewandte Chemie International Edition 58 (36), 12558-12562, 2019 | 48 | 2019 |
| Stereospecific alkene aziridination using a bifunctional amino-reagent: an aza-prilezhaev reaction JJ Farndon, TA Young, JF Bower Journal of the American Chemical Society 140 (51), 17846-17850, 2018 | 39 | 2018 |
| A transferable active-learning strategy for reactive molecular force fields TA Young, T Johnston-Wood, VL Deringer, F Duarte Chemical science 12 (32), 10944-10955, 2021 | 36 | 2021 |
| cgbind: A Python Module and Web App for Automated Metallocage Construction and Host–Guest Characterization TA Young, R Gheorghe, F Duarte Journal of Chemical Information and Modeling 60 (7), 3546-3557, 2020 | 28 | 2020 |
| Computational Modeling of Supramolecular Metallo-organic Cages–Challenges and Opportunities TK Piskorz, V Martí-Centelles, TA Young, PJ Lusby, F Duarte ACS catalysis 12 (10), 5806-5826, 2022 | 27 | 2022 |
| Rhodacyclopentanones as linchpins for the atom economical assembly of diverse polyheterocycles GW Wang, O Boyd, TA Young, SM Bertrand, JF Bower Journal of the American Chemical Society 142 (4), 1740-1745, 2020 | 27 | 2020 |
| Carbonylative C–C Bond Activation of Aminocyclopropanes Using a Temporary Directing Group Strategy GW Wang, OO Sokolova, TA Young, EMS Christodoulou, CP Butts, ... Journal of the American Chemical Society 142 (45), 19006-19011, 2020 | 23 | 2020 |
| Reaction dynamics of Diels–Alder reactions from machine learned potentials TA Young, T Johnston-Wood, H Zhang, F Duarte Physical Chemistry Chemical Physics 24 (35), 20820-20827, 2022 | 17 | 2022 |
| Inorganic triphenylphosphine AD Gorman, JA Bailey, N Fey, TA Young, HA Sparkes, PG Pringle Angewandte Chemie International Edition 57 (48), 15802-15806, 2018 | 14 | 2018 |
| Radical-initiated P, P-metathesis reactions of diphosphanes: evidence from experimental and computational studies C Branfoot, TA Young, DF Wass, PG Pringle Dalton Transactions 50 (20), 7094-7104, 2021 | 10 | 2021 |
| Mechanistic insight into organic and industrial transformations: general discussion Y Aoki, M Bauer, T Braun, JA Cadge, GE Clarke, DJ Durand, O Eisenstein, ... Faraday Discussions 220, 282-316, 2019 | 9 | 2019 |
| Computational and theoretical approaches for mechanistic understanding: general discussion M Bauer, J Cadge, D Davies, DJ Durand, O Eisenstein, D Ess, N Fey, ... Faraday Discussions 220, 464-488, 2019 | 4 | 2019 |
| Heterometathesis of diphosphanes (R 2 P–PR 2) with dichalcogenides (R′ E–ER′, E= O, S, Se, Te) C Branfoot, PG Pringle, NE Pridmore, TA Young, DF Wass Dalton Transactions 51 (22), 8906-8913, 2022 | | 2022 |
| Methods towards computational catalyst design T Young University of Oxford, 2021 | | 2021 |
