| Rapid virtual screening of enantioselective catalysts using CatVS AR Rosales, J Wahlers, E Limé, RE Meadows, KW Leslie, R Savin, F Bell, ... Nature Catalysis 2 (1), 41-45, 2019 | 105 | 2019 |
| Prediction of Stereochemistry using Q2MM E Hansen, AR Rosales, B Tutkowski, PO Norrby, O Wiest Accounts of Chemical Research 49 (5), 996-1005, 2016 | 105 | 2016 |
| Visible-light-activated asymmetric β-C–H functionalization of acceptor-substituted ketones with 1, 2-dicarbonyl compounds J Ma, AR Rosales, X Huang, K Harms, R Riedel, O Wiest, E Meggers Journal of the American Chemical Society 139 (48), 17245-17248, 2017 | 90 | 2017 |
| Application of Q2MM to predictions in stereoselective synthesis AR Rosales, TR Quinn, J Wahlers, A Tomberg, X Zhang, P Helquist, ... Chemical Communications 54 (60), 8294-8311, 2018 | 49 | 2018 |
| Transition state force field for the asymmetric redox-relay Heck reaction AR Rosales, SP Ross, P Helquist, PO Norrby, MS Sigman, O Wiest Journal of the American Chemical Society 142 (21), 9700-9707, 2020 | 26 | 2020 |
| Stereoselectivity Predictions for the Pd-Catalyzed 1, 4-Conjugate Addition Using Quantum-Guided Molecular Mechanics J Wahlers, M Maloney, F Salahi, AR Rosales, P Helquist, PO Norrby, ... The Journal of organic chemistry 86 (8), 5660-5667, 2021 | 8 | 2021 |
| A Quantum-Guided Molecular Mechanics Force Field for the Ferrocene Scaffold J Wahlers, AR Rosales, N Berkel, A Forbes, P Helquist, PO Norrby, ... The Journal of Organic Chemistry 87 (18), 12334-12341, 2022 | 3 | 2022 |
| Development of force field parameters for predictions in asymmetric catalysis and a foray into mechanism elucidation AR Rosales University of Notre Dame, 2019 | 3 | 2019 |
| pH dependent inhibition from ammonium ions in the Pseudomonas mevalonii HMG-CoA Reductase crystallization environment V Purohit, CN Steussy, AR Rosales, CJ Critchelow, T Schmidt, P Helquist, ... bioRxiv, 2020.06. 03.132290, 2020 | 1 | 2020 |
| pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography V Purohit, CN Steussy, AR Rosales, CJ Critchelow, T Schmidt, P Helquist, ... Biophysical Journal, 2024 | | 2024 |
| Stereoselectivity predictions for the Pd-catalyzed 1, 4-conjugate addition using Q2MM J Wahlers, M Maloney, F Salahi, A Rosales, P Helquist, PO Norrby, ... | | 2021 |
Olaf WiestUniversity of Notre DameVerifierad e-postadress på nd.edu
