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Personal profile

Research Interests

Computational Chemistry, Physical Chemistry, Molecular Simulation, Bioinformatics, High-performance Computing

Experience

2007/8~2012/7 Assistant Professor, Department of Biological Science and Technology, National Chiao Tung University

2012/8~2016/7 Associate Professor, Department of Biological Science and Technology, National Chiao Tung University

2016/8~ present Professor, Institute of Bioinformatics and Systems Biology / Department of Biological Science and Technology, National Chiao Tung University

Education/Academic qualification

PhD, National Tsing Hua University

External positions

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Projects

理論模擬輔助功能性之半胱胺酸蛋白質分子設計(1/3)

Yu, J. K.

1/08/2031/07/21

Project: Government MinistryMinistry of Science and Technology

Mechanistic study of aldol cleavage catalyzed by pyruvate class II aldolases with metadynamics

Yu, J. K.

1/08/1931/01/21

Project: Government MinistryMinistry of Science and Technology

Mechanistic study of aldol cleavage catalyzed by pyruvate class II aldolases with metadynamics

Yu, J. K.

1/08/1831/01/19

Project: Government MinistryMinistry of Science and Technology

Mechanistic study of aldol cleavage catalyzed by pyruvate class II aldolases with metadynamics

Yu, J. K.

1/08/1731/01/18

Project: Government MinistryMinistry of Science and Technology

The Electronic Structure of Metallochlorophyllin Complexes and Derivatives

Yu, J. K.

1/08/1631/07/18

Project: Government MinistryMinistry of Science and Technology

Research Output

Analyses on Molecular Properties of the Diamidinate CrI-CrI Complex by Multireference and DFT Approaches

Huang, G. T. & Yu, J-S. K., 12 Sep 2019, In : The journal of physical chemistry. A. 123, 36, p. 7803-7813 11 p.

Research output: Contribution to journalArticle

  • High-Rate Hydrogen Generation by Direct Sunlight Irradiation with a Triruthenium Complex

    Wu, T-K., Chen, Y. T., Peng, C. S., Lin, J. H., Gliniak, J., Chan, H. F., Chang, C. H., Li, C. R., Yu, J-S. K. & Lin, J. N., 4 Feb 2019, In : Inorganic Chemistry. 58, 3, p. 1967-1975 9 p.

    Research output: Contribution to journalArticle

  • 1 Scopus citations

    Can the Radical Channel Contribute to the Catalytic Cycle of N-Heterocyclic Carbene in Benzoin Condensation?

    Hsieh, M. H., Huang, G. T. & Yu, J-S. K., 21 Dec 2018, In : Journal of Organic Chemistry. 83, 24, p. 15202-15209 8 p.

    Research output: Contribution to journalArticle

  • 3 Scopus citations

    Catalytic Roles of Histidine and Arginine in Pyruvate Class II Aldolase: A Perspective from QM/MM Metadynamics

    Huang, G. T. & Yu, J-S., 1 Dec 2017, In : ACS Catalysis. 7, 12, p. 8130-8133 4 p.

    Research output: Contribution to journalArticle

  • 3 Scopus citations

    Enhanced hydrogen generation from formic acid by a biomimetic ruthenium complex with a covalently bonded phosphine ligand

    Chen, M. H., Lin, J. H., Li, C. R., Gliniak, J., Chang, C. H., Peng, C. S., Chen, Y. T., Yu, J-S. & Wu, T-K., 13 Apr 2017, In : International Journal of Hydrogen Energy. 42, 15, p. 9784-9794 11 p.

    Research output: Contribution to journalArticle

  • 8 Scopus citations