Catalytic enantioselective synthesis of chiral tetraarylmethanes X Li, M Duan, Z Deng, Q Shao, M Chen, G Zhu, KN Houk, J Sun Nature Catalysis 3 (12), 1010-1019, 2020 | 68 | 2020 |
High Site Selectivity in Electrophilic Aromatic Substitutions: Mechanism of C–H Thianthrenation F Juliá†, Q Shao†, M Duan†, MB Plutschack, F Berger, J Mateos, C Lu, ... Journal of the American Chemical Society 143 (39), 16041-16054, 2021 | 65 | 2021 |
Development of α, α-disubstituted crotylboronate reagents and stereoselective crotylation via Brønsted or Lewis acid catalysis S Gao, M Duan, Q Shao, KN Houk, M Chen Journal of the American Chemical Society 142 (43), 18355-18368, 2020 | 50 | 2020 |
Highly selective synthesis of all-carbon tetrasubstituted alkenes by deoxygenative alkenylation of carboxylic acids Y Li, Q Shao, H He, C Zhu, XS Xue, J Xie Nature Communications 13 (1), 10, 2022 | 49 | 2022 |
Intercepting fleeting cyclic allenes with asymmetric nickel catalysis MM Yamano†, AV Kelleghan†, Q Shao†, M Giroud, BJ Simmons, B Li, ... Nature 586 (7828), 242-247, 2020 | 47 | 2020 |
Metal-Free C-H Functionalization via Diaryliodonium Salts with a Chemically Robust Dummy Ligand Yixuan Chen†, Yuefei Gu†, Huan Meng†, Qianzhen Shao†, Zhenchuang Xu, Wenjing ... Angew. Chem. Int. Ed., 2022 | 22* | 2022 |
EnzyHTP: a high-throughput computational platform for enzyme modeling Q Shao, Y Jiang, ZJ Yang Journal of Chemical Information and Modeling 62 (3), 647-655, 2022 | 22 | 2022 |
Bioinspired Synthesis of (−)‐PF‐1018 H Quintela‐Varela, CS Jamieson, Q Shao, KN Houk, D Trauner Angewandte Chemie International Edition 59 (13), 5263-5267, 2020 | 22 | 2020 |
Rate-perturbing single amino acid mutation for hydrolases: a statistical profiling B Yan, X Ran, Y Jiang, SK Torrence, L Yuan, Q Shao, ZJ Yang The Journal of Physical Chemistry B 125 (38), 10682-10691, 2021 | 12 | 2021 |
EnzyHTP computational directed evolution with adaptive resource allocation Q Shao, Y Jiang, ZJ Yang Journal of Chemical Information and Modeling 63 (17), 5650-5659, 2023 | 8 | 2023 |
LassoHTP: a high-throughput computational tool for lasso peptide structure construction and modeling RJ Juarez, Y Jiang, M Tremblay, Q Shao, AJ Link, ZJ Yang Journal of chemical information and modeling 63 (2), 522-530, 2023 | 7 | 2023 |
Mutexa: a computational ecosystem for intelligent protein engineering ZJ Yang, Q Shao, Y Jiang, C Jurich, X Ran, RJ Juarez, B Yan, SL Stull, ... Journal of Chemical Theory and Computation 19 (21), 7459-7477, 2023 | 6 | 2023 |
EnzyKR: a chirality-aware deep learning model for predicting the outcomes of the hydrolase-catalyzed kinetic resolution X Ran, Y Jiang, Q Shao, ZJ Yang Chemical Science 14 (43), 12073-12082, 2023 | 4 | 2023 |
Convergence in determining enzyme functional descriptors across Kemp eliminase variants Y Jiang, SL Stull, Q Shao, ZJ Yang Electronic Structure 4 (4), 044007, 2022 | 4 | 2022 |
Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis Y Jiang†, N Ding†, Q Shao†, SL Stull, Z Cheng, ZJ Yang The Journal of Physical Chemistry Letters 14, 11480-11489, 2023 | 3 | 2023 |
Investigating the Non-Electrostatic Component of Substrate Positioning Dynamics Y Jiang, N Ding, Q Shao, S Stull, Z Cheng, Z Yang | 1 | 2023 |
Why •CF2H is nucleophilic but •CF3 is electrophilic in reactions with heterocycles M Duan, Q Shao, Q Zhou, PS Baran, KN Houk Nature Communications 15 (1), 4630, 2024 | | 2024 |
ARMer: A Python Library for Adaptive Resource Allocation in High-Throughput Workflow Q Shao, Z Yang | | 2022 |