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Yaoyukun Jiang, Ph.D. - Publications

Affiliations: 
2021- Chemistry Vanderbilt University, Nashville, TN 
Area:
Computational Chemistry; Enzymology; Spectroscopy
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11 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  0.694
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  0.667
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  0.67
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  0.635
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  0.703
2022 Jiang Y, Ran X, Yang ZJ. Data-Driven Enzyme Engineering to Identify Function-Enhancing Enzymes. Protein Engineering, Design & Selection : Peds. PMID 36214500 DOI: 10.1093/protein/gzac009  0.661
2022 Jiang Y, Yan B, Chen Y, Juarez RJ, Yang ZJ. Molecular Dynamics-Derived Descriptor Informs the Impact of Mutation on the Catalytic Turnover Number in Lactonase Across Substrates. The Journal of Physical Chemistry. B. 126: 2486-2495. PMID 35324218 DOI: 10.1021/acs.jpcb.2c00142  0.687
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  0.714
2021 Wang X, Zhang C, Jiang Y, Wang W, Zhou Y, Chen Y, Zhang B, Tan RX, Ge HM, Yang ZJ, Liang Y. Influence of Water and Enzyme on the Post-Transition State Bifurcation of NgnD-Catalyzed Ambimodal [6+4]/[4+2] Cycloaddition. Journal of the American Chemical Society. PMID 34851644 DOI: 10.1021/jacs.1c10760  0.628
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  0.644
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