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Chemistry, an Asian Journal|March 7, 2023
Computational Strategies for Entropy Modeling in Chemical ProcessesWook Shin, Zhongyue J Yang
The Journal of Physical Chemistry. B|May 3, 2023
Accelerated Entropic Path Sampling with a Bidirectional Generative Adversarial NetworkWook Shin, Xinchun Ran, Zhongyue J Yang
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 18, 2025
Computational Studies of Enzymes for C-F Bond Degradation and FunctionalizationKendra M Cunningham, Wook Shin, Zhongyue J Yang
Journal of Chemical Theory and Computation|December 6, 2024
Interplay between Energy and Entropy Mediates Ambimodal Selectivity of CycloadditionsWook Shin, Yaning Hou, Xin Wang, et al.
Angewandte Chemie (International Ed. in English)|April 24, 2025
Enhancing Cold Adaptation of Bidomain Amylases by High-Throughput Computational EngineeringNing Ding, Yaoyukun Jiang, Robbie Ge, et al.
Protein Science : a Publication of the Protein Society|June 6, 2023
High-throughput computational investigation of protein electrostatics and cavity for SAM-dependent methyltransferasesChristopher Jurich, Zhongyue J Yang
Journal of Chemical Information and Modeling|January 24, 2022
EnzyHTP: A High-Throughput Computational Platform for Enzyme ModelingQianzhen Shao, Yaoyukun Jiang, Zhongyue J Yang
Journal of Chemical Information and Modeling|August 23, 2023
EnzyHTP Computational Directed Evolution with Adaptive Resource AllocationQianzhen Shao, Yaoyukun Jiang, Zhongyue J Yang
Protein Engineering, Design & Selection : PEDS|October 10, 2022
Data-driven enzyme engineering to identify function-enhancing enzymesYaoyukun Jiang, Xinchun Ran, Zhongyue J Yang
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