Design of catalysts for site-selective and enantioselective functionalization of non-activated primary C–H bonds K Liao, YF Yang, Y Li, JN Sanders, KN Houk, DG Musaev, HML Davies Nature chemistry 10 (10), 1048-1055, 2018 | 144 | 2018 |
Compressed sensing for multidimensional spectroscopy experiments JN Sanders, SK Saikin, S Mostame, X Andrade, JR Widom, AH Marcus, ... The journal of physical chemistry letters 3 (18), 2697-2702, 2012 | 77 | 2012 |
Application of compressed sensing to the simulation of atomic systems X Andrade, JN Sanders, A Aspuru-Guzik Proceedings of the National Academy of Sciences 109 (35), 13928-13933, 2012 | 64 | 2012 |
Enantioselective C–H functionalization of bicyclo [1.1. 1] pentanes ZJ Garlets, JN Sanders, H Malik, C Gampe, KN Houk, HML Davies Nature Catalysis 3 (4), 351-357, 2020 | 60 | 2020 |
Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels–Alderase Q Dan, SA Newmister, KR Klas, AE Fraley, TJ McAfoos, AD Somoza, ... Nature chemistry 11 (11), 972-980, 2019 | 60 | 2019 |
Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases A Matthews, R Saleem-Batcha, JN Sanders, F Stull, KN Houk, R Teufel Nature chemical biology 16 (5), 556-563, 2020 | 58 | 2020 |
Enzymatic control of dioxygen binding and functionalization of the flavin cofactor R Saleem-Batcha, F Stull, JN Sanders, BS Moore, BA Palfey, KN Houk, ... Proceedings of the National Academy of Sciences 115 (19), 4909-4914, 2018 | 52 | 2018 |
Structure and function of NzeB, a versatile C–C and C–N bond-forming diketopiperazine dimerase VV Shende, Y Khatri, SA Newmister, JN Sanders, P Lindovska, F Yu, ... Journal of the American Chemical Society 142 (41), 17413-17424, 2020 | 51 | 2020 |
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ... Digital Discovery 2 (5), 1233-1250, 2023 | 48 | 2023 |
Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis SA Newmister, S Li, M Garcia-Borràs, JN Sanders, S Yang, AN Lowell, ... Nature chemical biology 14 (4), 345-351, 2018 | 33 | 2018 |
Transient [3, 3] Cope rearrangement of 3, 3-dicyano-1, 5-dienes: computational analysis and 2-step synthesis of arylcycloheptanes E Fereyduni, JN Sanders, G Gonzalez, KN Houk, AJ Grenning Chemical science 9 (46), 8760-8764, 2018 | 29 | 2018 |
Controlling, understanding, and redirecting the thermal rearrangement of 3, 3-dicyano-1, 5-enynes SK Scott, JN Sanders, KE White, RA Yu, KN Houk, AJ Grenning Journal of the American Chemical Society 140 (47), 16134-16139, 2018 | 21 | 2018 |
Isotopically directed symmetry breaking and enantioenrichment in attrition-enhanced deracemization JI Murray, JN Sanders, PF Richardson, KN Houk, DG Blackmond Journal of the American Chemical Society 142 (8), 3873-3879, 2020 | 20 | 2020 |
Computational investigation of the mechanism of Diels–Alderase PyrI4 Y Zou, S Yang, JN Sanders, W Li, P Yu, H Wang, Z Tang, W Liu, KN Houk Journal of the American Chemical Society 142 (47), 20232-20239, 2020 | 19 | 2020 |
A thermodynamic atlas of carbon redox chemical space A Jinich, B Sanchez-Lengeling, H Ren, JE Goldford, E Noor, JN Sanders, ... Proceedings of the National Academy of Sciences 117 (52), 32910-32918, 2020 | 18 | 2020 |
More accurate and efficient bath spectral densities from super-resolution T Markovich, SM Blau, J Parkhill, C Kreisbeck, JN Sanders, X Andrade, ... arXiv preprint arXiv:1307.4407, 2013 | 14 | 2013 |
Molecular dynamics simulations guide chimeragenesis and engineered control of chemoselectivity in diketopiperazine dimerases VV Shende, NR Harris, JN Sanders, SA Newmister, Y Khatri, ... Angewandte Chemie International Edition 62 (20), e202210254, 2023 | 13 | 2023 |
Mechanism of an Organocatalytic Cope Rearrangement Involving Iminium Intermediates: Elucidating the Role of Catalyst Ring Size JN Sanders, HJ Jun, RA Yu, JL Gleason, KN Houk Journal of the American Chemical Society 142 (39), 16877-16886, 2020 | 12 | 2020 |
Compressed sensing for the fast computation of matrices: Application to molecular vibrations JN Sanders, X Andrade, A Aspuru-Guzik ACS central science 1 (1), 24-32, 2015 | 12 | 2015 |
Synthesis and target identification of a novel electrophilic warhead, 2-chloromethylquinoline F Ni, A Ekanayake, B Espinosa, C Yu, JN Sanders, J Perino, KN Houk, ... Biochemistry 58 (24), 2715-2719, 2019 | 10 | 2019 |