Determination of the reaction path of dehalogenation reaction catalyzed by haloacid dehalogenase L-DEX YL using quantum chemical calculation

Presentation information

Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 10:00 AM - 11:30 AM P (Arena, Gymnasium and Auditorium [1F])

Presentation time：Odd Poster Number 10:00-10:45 / Even Poster Number 10:45-11:30

[2PA-184] Determination of the reaction path of dehalogenation reaction catalyzed by haloacid dehalogenase L-DEX YL using quantum chemical calculation

○TANAKA, Yusuke; NAKAMURA, Takashi; KONDO, Hirotaka; WATANABE, Hirofumi; TANAKA, Shigenori (Nagahama Institute of Bio-Science and Technology)

Keywords:enzyme、haloacid dehalogenase、quantum chemical calculation、Nudged Elastic Band method、Reaction path search

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