Large-Scale Biomolecular Chemical Computations toward the Prediction of Burkholderia cepacia Lipase Enantioselectivity

Yoichiro Yagi, Takahisa Tanaka, Atsushi Imagawa, Yosuke Moriya, Yoshihiro Mori, Takatomo Kimura, Makoto Kamezawa, Yoshinobu Naoshima

Molecular dynamics calculation, Fragment molecular orbital calculation, organic synthesis, Lipases, Enantioselectivity, Alcohol esters

Journal of Advanced Simulation in Science and Engineering

日本シミュレーション学会

1

1

141

160

10.15748/jasse.1.141