Glycosidic-bond hydrolysis mechanism catalyzed by cellulase Cel7A from Trichoderma reesei: a comprehensive theoretical study by performing MD, QM, and QM/MM calculations.
Li
Jinghua
J
State Key Laboratory of Microbial Technology, Shandong University, Jinan, 250100, P. R. China.
Du
Likai
L
Wang
Lushan
L
D002236:Carbohydrate Conformation; D002384:Catalysis; D002475:Cellobiose / Q000737:chemistry* / Q000378:metabolism*; D002480:Cellulase / Q000737:chemistry* / Q000378:metabolism*; D006868:Hydrolysis; D008958:Models, Molecular; D008962:Models, Theoretical; D056004:Molecular Dynamics Simulation; D017434:Protein Structure, Tertiary; D011789:Quantum Theory; D014242:Trichoderma / Q000201:enzymology*
D002475:Cellobiose; D002480:Cellulase