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Theoretical and Computational Chemistry

Working Paper

EnzyKR: A Chirality-Aware Deep Learning Model for Predicting the Outcomes of the Hydrolase-Catalyzed Kinetic Resolution

Xinchun Ran, Yaoyukun Jiang, Qianzhen Shao, Zhongyue J. Yang

Version 2 posted 12 September 2023

335

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1

Citations

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

294

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Biological and Medicinal Chemistry

Working Paper

Investigating the Non-Electrostatic Component of Substrate Positioning Dynamics

Yaoyukun Jiang, Ning Ding, Qianzhen Shao, Sebastian Stull, Zihao Cheng, Zhongyue Yang

Version 3 posted 17 November 2023

434

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Theoretical and Computational Chemistry

Working Paper

EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling

Qianzhen Shao, Yaoyukun Jiang, Zhongyue Yang

Version 1 posted 24 November 2021

466

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Theoretical and Computational Chemistry

Working Paper

LassoHTP: a High-throughput Computational Tool for Lasso Peptide Structure Construction and Modeling

Reecan J. Juarez, Matthew Tremblay, Yaoyukun Jiang, Qianzhen Shao, A. James Link, Zhongyue Yang

Version 1 posted 13 July 2022

421

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Theoretical and Computational Chemistry

Review

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering

Zhongyue Yang, Qianzhen Shao, Yaoyukun Jiang, Christopher Jurich, Xinchun Ran, Reecan Juarez, Bailu Yan, Sebastian Stull, Anvita Gollu, Ning Ding

Version 1 posted 08 June 2023

591

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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

277

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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

429

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Theoretical and Computational Chemistry

Working Paper

SubTuner: a Physics-Guided Computational Tool for Modifying Enzymatic Substrate Preference and Its Application to Anion Methyltransferases

Qianzhen Shao, Asher C. Hollenbeak, Yaoyukun Jiang, Xinchun Ran, Brian O. Bachmann, Zhongyue J. Yang

Version 2 posted 30 October 2024

282

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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

108

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Refine Search

10 results in Yaoyukun Jiang in Authors: Yaoyukun Jiang

EnzyKR: A Chirality-Aware Deep Learning Model for Predicting the Outcomes of the Hydrolase-Catalyzed Kinetic Resolution

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

Investigating the Non-Electrostatic Component of Substrate Positioning Dynamics

EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling

LassoHTP: a High-throughput Computational Tool for Lasso Peptide Structure Construction and Modeling

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering

Convergence in Determining Enzyme Functional Descriptors across Kemp Eliminase Variants

EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation

SubTuner: a Physics-Guided Computational Tool for Modifying Enzymatic Substrate Preference and Its Application to Anion Methyltransferases

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

10 results in Authors: Yaoyukun Jiang