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Chronology of CH···O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde
Chronology of CH···O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde
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Chronology of CH···O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde

Grayson, Matthew N ; Yang, Zhongyue ; Houk, K. N

Journal of the American Chemical Society, 2017-06, Vol.139 (23), p.7717-7720 [Periódico revisado por pares]

United States: American Chemical Society

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12
Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis
Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis
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Substrate Positioning Dynamics Involves a Non-Electrostatic Component to Mediate Catalysis

Jiang, Yaoyukun ; Ding, Ning ; Shao, Qianzhen ; Stull, Sebastian L. ; Cheng, Zihao ; Yang, Zhongyue J.

The journal of physical chemistry letters, 2023-12, Vol.14 (50), p.11480-11489 [Periódico revisado por pares]

United States: American Chemical Society

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13
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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14
Molecular Dynamics-Derived Descriptor Informs the Impact of Mutation on the Catalytic Turnover Number in Lactonase Across Substrates
Molecular Dynamics-Derived Descriptor Informs the Impact of Mutation on the Catalytic Turnover Number in Lactonase Across Substrates
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Molecular Dynamics-Derived Descriptor Informs the Impact of Mutation on the Catalytic Turnover Number in Lactonase Across Substrates

Jiang, Yaoyukun ; Yan, Bailu ; Chen, Yu ; Juarez, Reecan J ; Yang, Zhongyue J

The journal of physical chemistry. B, 2022-04, Vol.126 (13), p.2486-2495 [Periódico revisado por pares]

United States: American Chemical Society

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15
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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16
The effect of zero‐point energy in simulating organic reactions with post‐transition state bifurcation
The effect of zero‐point energy in simulating organic reactions with post‐transition state bifurcation
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The effect of zero‐point energy in simulating organic reactions with post‐transition state bifurcation

Tremblay, Matthew T. ; Yang, Zhongyue J.

Journal of physical organic chemistry, 2022-11, Vol.35 (11), p.n/a [Periódico revisado por pares]

Bognor Regis: Wiley Subscription Services, Inc

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17
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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18
Rate-Perturbing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling
Rate-Perturbing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling
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Rate-Perturbing Single Amino Acid Mutation for Hydrolases: A Statistical Profiling

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

The journal of physical chemistry. B, 2021-09, Vol.125 (38), p.10682-10691 [Periódico revisado por pares]

American Chemical Society

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19
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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20
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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