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EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling
EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling
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EnzyHTP: A High-Throughput Computational Platform for Enzyme Modeling

Shao, Qianzhen ; Jiang, Yaoyukun ; Yang, Zhongyue J

Journal of chemical information and modeling, 2022-02, Vol.62 (3), p.647-655 [Periódico revisado por pares]

United States: American Chemical Society

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EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation
EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation
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EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation

Shao, Qianzhen ; Jiang, Yaoyukun ; Yang, Zhongyue J.

Journal of chemical information and modeling, 2023-09, Vol.63 (17), p.5650-5659 [Periódico revisado por pares]

Washington: American Chemical Society

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Computational Strategies for Entropy Modeling in Chemical Processes
Computational Strategies for Entropy Modeling in Chemical Processes
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Computational Strategies for Entropy Modeling in Chemical Processes

Shin, Wook ; Yang, Zhongyue J.

Chemistry, an Asian journal, 2023-05, Vol.18 (9), p.e202300117-n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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4
EnzyKR: a chirality-aware deep learning model for predicting the outcomes of the hydrolase-catalyzed kinetic resolution
EnzyKR: a chirality-aware deep learning model for predicting the outcomes of the hydrolase-catalyzed kinetic resolution
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EnzyKR: a chirality-aware deep learning model for predicting the outcomes of the hydrolase-catalyzed kinetic resolution

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

Chemical science (Cambridge), 2023-11, Vol.14 (43), p.1273-1282 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
IntEnzyDB: an Integrated Structure–Kinetics Enzymology Database
IntEnzyDB: an Integrated Structure–Kinetics Enzymology Database
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IntEnzyDB: an Integrated Structure–Kinetics Enzymology Database

Yan, Bailu ; Ran, Xinchun ; Gollu, Anvita ; Cheng, Zihao ; Zhou, Xiang ; Chen, Yiwen ; Yang, Zhongyue J.

Journal of chemical information and modeling, 2022-11, Vol.62 (22), p.5841-5848 [Periódico revisado por pares]

United States: American Chemical Society

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6
Influence of Water and Enzyme on the Post-Transition State Bifurcation of NgnD-Catalyzed Ambimodal [6+4]/[4+2] Cycloaddition
Influence of Water and Enzyme on the Post-Transition State Bifurcation of NgnD-Catalyzed Ambimodal [6+4]/[4+2] Cycloaddition
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Influence of Water and Enzyme on the Post-Transition State Bifurcation of NgnD-Catalyzed Ambimodal [6+4]/[4+2] Cycloaddition

Wang, Xin ; Zhang, Chun ; Jiang, Yaoyukun ; Wang, Wen ; Zhou, Yuan ; Chen, Yu ; Zhang, Bo ; Tan, Ren Xiang ; Ge, Hui Ming ; Yang, Zhongyue J ; Liang, Yong

Journal of the American Chemical Society, 2021-12, Vol.143 (49), p.21003-21009 [Periódico revisado por pares]

United States: American Chemical Society

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7
Mechanisms and Origins of Periselectivity of the Ambimodal [6 + 4] Cycloadditions of Tropone to Dimethylfulvene
Mechanisms and Origins of Periselectivity of the Ambimodal [6 + 4] Cycloadditions of Tropone to Dimethylfulvene
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Mechanisms and Origins of Periselectivity of the Ambimodal [6 + 4] Cycloadditions of Tropone to Dimethylfulvene

Yu, Peiyuan ; Chen, Tiffany Q ; Yang, Zhongyue ; He, Cyndi Qixin ; Patel, Ashay ; Lam, Yu-hong ; Liu, Ching-Yang ; Houk, K. N

Journal of the American Chemical Society, 2017-06, Vol.139 (24), p.8251-8258 [Periódico revisado por pares]

United States: American Chemical Society

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8
Relationships between Product Ratios in Ambimodal Pericyclic Reactions and Bond Lengths in Transition Structures
Relationships between Product Ratios in Ambimodal Pericyclic Reactions and Bond Lengths in Transition Structures
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Relationships between Product Ratios in Ambimodal Pericyclic Reactions and Bond Lengths in Transition Structures

Yang, Zhongyue ; Dong, Xiaofei ; Yu, Yanmin ; Yu, Peiyuan ; Li, Yingzi ; Jamieson, Cooper ; Houk, K. N

Journal of the American Chemical Society, 2018-02, Vol.140 (8), p.3061-3067 [Periódico revisado por pares]

United States: American Chemical Society

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9
LassoHTP: A High-Throughput Computational Tool for Lasso Peptide Structure Construction and Modeling
LassoHTP: A High-Throughput Computational Tool for Lasso Peptide Structure Construction and Modeling
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LassoHTP: A High-Throughput Computational Tool for Lasso Peptide Structure Construction and Modeling

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

Journal of chemical information and modeling, 2023-01, Vol.63 (2), p.522-530 [Periódico revisado por pares]

United States: American Chemical Society

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10
Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer
Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer
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Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer

Zhao, Jiannan ; Brosmer, Jonathan L ; Tang, Qingxuan ; Yang, Zhongyue ; Houk, K. N ; Diaconescu, Paula L ; Kwon, Ohyun

Journal of the American Chemical Society, 2017-07, Vol.139 (29), p.9807-9810 [Periódico revisado por pares]

United States: American Chemical Society

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