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Qianzhen Shao - Publications

Affiliations: 
Vanderbilt University, Nashville, TN 
Area:
Enzyme Modeling, Enzyme Engineering, Computation Chemistry
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12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Jiang Y, Ding N, Shao Q, Stull SL, Cheng Z, Yang ZJ. Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis. The Journal of Physical Chemistry Letters. 14: 11480-11489. PMID 38085952 DOI: 10.1021/acs.jpclett.3c02444  0.685
2023 Ran X, Jiang Y, Shao Q, Yang ZJ. EnzyKR: a chirality-aware deep learning model for predicting the outcomes of the hydrolase-catalyzed kinetic resolution. Chemical Science. 14: 12073-12082. PMID 37969577 DOI: 10.1039/d3sc02752j  0.678
2023 Yang ZJ, Shao Q, Jiang Y, Jurich C, Ran X, Juarez RJ, Yan B, Stull SL, Gollu A, Ding N. Mutexa: A Computational Ecosystem for Intelligent Protein Engineering. Journal of Chemical Theory and Computation. PMID 37828731 DOI: 10.1021/acs.jctc.3c00602  0.673
2023 Shao Q, Jiang Y, Yang ZJ. EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation. Journal of Chemical Information and Modeling. PMID 37611241 DOI: 10.1021/acs.jcim.3c00618  0.685
2023 Juarez RJ, Jiang Y, Tremblay M, Shao Q, Link AJ, Yang ZJ. LassoHTP: A High-Throughput Computational Tool for Lasso Peptide Structure Construction and Modeling. Journal of Chemical Information and Modeling. 63: 522-530. PMID 36594886 DOI: 10.1021/acs.jcim.2c00945  0.651
2022 Jiang Y, Stull SL, Shao Q, Yang ZJ. Convergence in determining enzyme functional descriptors across Kemp eliminase variants. Electronic Structure (Bristol, England). 4. PMID 37425623 DOI: 10.1088/2516-1075/acad51  0.694
2022 Chen Y, Gu Y, Meng H, Shao Q, Xu Z, Bao W, Gu Y, Xue XS, Zhao Y. Metal-Free C-H Functionalization via Diaryliodonium Salts with a Chemically Robust Dummy Ligand. Angewandte Chemie (International Ed. in English). PMID 35502813 DOI: 10.1002/anie.202201240  0.647
2022 Li Y, Shao Q, He H, Zhu C, Xue XS, Xie J. Highly selective synthesis of all-carbon tetrasubstituted alkenes by deoxygenative alkenylation of carboxylic acids. Nature Communications. 13: 10. PMID 35121730 DOI: 10.1038/s41467-021-27507-x  0.655
2022 Shao Q, Jiang Y, Yang ZJ. EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling. Journal of Chemical Information and Modeling. 62: 647-655. PMID 35073075 DOI: 10.1021/acs.jcim.1c01424  0.693
2021 Juliá F, Shao Q, Duan M, Plutschack MB, Berger F, Mateos J, Lu C, Xue XS, Houk KN, Ritter T. High Site Selectivity in Electrophilic Aromatic Substitutions: Mechanism of C-H Thianthrenation. Journal of the American Chemical Society. PMID 34546749 DOI: 10.1021/jacs.1c06281  0.673
2021 Yan B, Ran X, Jiang Y, Torrence SK, Yuan L, Shao Q, Yang ZJ. Rate-Perturbing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling. The Journal of Physical Chemistry. B. PMID 34524819 DOI: 10.1021/acs.jpcb.1c05901  0.66
2019 Quintela-Varela H, Jamieson C, Shao Q, Houk K, Trauner D. Bioinspired Synthesis of (-)-PF-1018. Angewandte Chemie (International Ed. in English). PMID 31788926 DOI: 10.1002/Anie.201912452  0.427
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