Yang ZJ - Search Results

1

Interplay between Energy and Entropy Mediates Ambimodal Selectivity of Cycloadditions.

Shin W, Hou Y, Wang X, Yang ZJ. Shin W, et al. Among authors: yang zj. J Chem Theory Comput. 2024 Dec 24;20(24):10942-10951. doi: 10.1021/acs.jctc.4c01138. Epub 2024 Dec 6. J Chem Theory Comput. 2024. PMID: 39639796 Free PMC article.

2

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

Wang X, Zhang C, Jiang Y, Wang W, Zhou Y, Chen Y, Zhang B, Tan RX, Ge HM, Yang ZJ, Liang Y. Wang X, et al. Among authors: yang zj. J Am Chem Soc. 2021 Dec 15;143(49):21003-21009. doi: 10.1021/jacs.1c10760. Epub 2021 Dec 1. J Am Chem Soc. 2021. PMID: 34851644

3

Computational Strategies for Entropy Modeling in Chemical Processes.

Shin W, Yang ZJ. Shin W, et al. Among authors: yang zj. Chem Asian J. 2023 May 2;18(9):e202300117. doi: 10.1002/asia.202300117. Epub 2023 Mar 20. Chem Asian J. 2023. PMID: 36882367 Review.

4

Accelerated Entropic Path Sampling with a Bidirectional Generative Adversarial Network.

Shin W, Ran X, Yang ZJ. Shin W, et al. Among authors: yang zj. J Phys Chem B. 2023 May 18;127(19):4254-4260. doi: 10.1021/acs.jpcb.3c01202. Epub 2023 May 3. J Phys Chem B. 2023. PMID: 37133810

5

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering.

Yang ZJ, Shao Q, Jiang Y, Jurich C, Ran X, Juarez RJ, Yan B, Stull SL, Gollu A, Ding N. Yang ZJ, et al. J Chem Theory Comput. 2023 Nov 14;19(21):7459-7477. doi: 10.1021/acs.jctc.3c00602. Epub 2023 Oct 12. J Chem Theory Comput. 2023. PMID: 37828731 Free PMC article. Review.

6

QM/MM Protocol for Direct Molecular Dynamics of Chemical Reactions in Solution: The Water-Accelerated Diels-Alder Reaction.

Yang Z, Doubleday C, Houk KN. Yang Z, et al. J Chem Theory Comput. 2015 Dec 8;11(12):5606-12. doi: 10.1021/acs.jctc.5b01029. Epub 2015 Nov 17. J Chem Theory Comput. 2015. PMID: 26588803

7

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

Yu P, Chen TQ, Yang Z, He CQ, Patel A, Lam YH, Liu CY, Houk KN. Yu P, et al. J Am Chem Soc. 2017 Jun 21;139(24):8251-8258. doi: 10.1021/jacs.7b02966. Epub 2017 Jun 7. J Am Chem Soc. 2017. PMID: 28535677

8

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

Yang Z, Dong X, Yu Y, Yu P, Li Y, Jamieson C, Houk KN. Yang Z, et al. J Am Chem Soc. 2018 Feb 28;140(8):3061-3067. doi: 10.1021/jacs.7b13562. Epub 2018 Feb 19. J Am Chem Soc. 2018. PMID: 29419295

9

Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis of Spinosyn A.

Patel A, Chen Z, Yang Z, Gutiérrez O, Liu HW, Houk KN, Singleton DA. Patel A, et al. J Am Chem Soc. 2016 Mar 23;138(11):3631-4. doi: 10.1021/jacs.6b00017. Epub 2016 Mar 9. J Am Chem Soc. 2016. PMID: 26909570 Free PMC article.

10

Ambimodal Trispericyclic Transition State and Dynamic Control of Periselectivity.

Xue XS, Jamieson CS, Garcia-Borràs M, Dong X, Yang Z, Houk KN. Xue XS, et al. J Am Chem Soc. 2019 Jan 23;141(3):1217-1221. doi: 10.1021/jacs.8b12674. Epub 2019 Jan 14. J Am Chem Soc. 2019. PMID: 30623652

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