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Theoretical and Computational Chemistry

Working Paper

Protein Dynamics and Substrate Protonation State Mediate the Catalytic Action of Trans-4-Hydroxy-L-Proline Dehydratase

Zhongyue Yang, Heather Kulik

Version 1 posted 21 April 2021

320

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Catalysis

Working Paper

Rate-enhancing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling

Bailu Yan, Xinchun Ran, Yaoyukun Jiang, Sarah K. Torrence, Li Yuan, Qianzhen Shao, Zhongyue Yang

Version 1 posted 10 May 2021

337

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Theoretical and Computational Chemistry

Working Paper

Revealing Quantum Mechanical Effects in Enzyme Catalysis with Large-Scale Electronic Structure Simulation

Zhongyue Yang, Rimsha Mehmood, Mengyi Wang, Helena W. Qi, Adam H. Steeves, Heather Kulik

Version 1 posted 26 September 2018

543

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Theoretical and Computational Chemistry

Working Paper

Predicting 3D Structures of Lasso Peptides

Xingyu Ouyang, Xinchun Ran, Han Xu, Yi-Lei Zhao, A. James Link, Zhongyue Yang

Version 2 posted 14 October 2024

777

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Theoretical and Computational Chemistry

Working Paper

Linker-Mediated Domain Separation Enhances Cold Adaptation in Cellulases

Robbie Ge, Ning Ding, Yaoyukun Jiang, Zhongyue J. Yang

Version 1 posted 27 November 2024

107

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Catalysis

Working Paper

Enhance Cold Adaptation of Bidomain Amylases via High-throughput Computational Engineering

Ning Ding, Yaoyukun Jiang, Robbie Ge, Xinchun Ran, Zhongyue J. Yang

Version 1 posted 20 August 2024

264

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Physical Chemistry

Review

Physics-based Modeling in the New Era of Enzyme Engineering

Christopher Jurich, Qianzhen Shao, Xinchun Ran, Zhongyue Yang

Version 1 posted 10 September 2024

585

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Theoretical and Computational Chemistry

Working Paper

Convergence in Determining Enzyme Functional Descriptors across Kemp Eliminase Variants

Yaoyukun Jiang, Sebastian L. Stull, Qianzhen Shao, Zhongyue Yang

Version 2 posted 02 December 2022

307

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Theoretical and Computational Chemistry

Working Paper

EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation

Qianzhen Shao, Yaoyukun Jiang, Zhongyue Yang

Version 2 posted 20 June 2023

530

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Physical Chemistry

Working Paper

Entropic Path Sampling: Computational Protocol to Evaluate Entropic Profile along a Reaction Path

Zhi-Xin Qin, Matthew Tremblay, Xin Hong, Zhongyue Yang

Version 1 posted 23 September 2021

300

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Refine Search

27 results in Zhongyue Yang in Authors: Zhongyue Yang

Protein Dynamics and Substrate Protonation State Mediate the Catalytic Action of Trans-4-Hydroxy-L-Proline Dehydratase

Rate-enhancing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling

Revealing Quantum Mechanical Effects in Enzyme Catalysis with Large-Scale Electronic Structure Simulation

Predicting 3D Structures of Lasso Peptides

Linker-Mediated Domain Separation Enhances Cold Adaptation in Cellulases

Enhance Cold Adaptation of Bidomain Amylases via High-throughput Computational Engineering

Physics-based Modeling in the New Era of Enzyme Engineering

Convergence in Determining Enzyme Functional Descriptors across Kemp Eliminase Variants

EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation

Entropic Path Sampling: Computational Protocol to Evaluate Entropic Profile along a Reaction Path

27 results in Authors: Zhongyue Yang