Why does \(\beta \)-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies

DOI10.1016/j.compbiolchem.2007.03.007zbMath1122.92041WikidataQ48168735 ScholiaQ48168735MaRDI QIDQ2459096

Hualiang Jiang, Chen Gang, Zhili Zuo, Hanjun Zou, Puah Chum Mok, Weiliang Zhu, Kaixian Chen

Publication date: 5 November 2007

Published in: Computational Biology and Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.compbiolchem.2007.03.007

zbMATH Keywords

free energy; homology modeling; drug design; MM-PBSA; steered MD

Mathematics Subject Classification ID

92C45: Kinetics in biochemical problems (pharmacokinetics, enzyme kinetics, etc.)

92C50: Medical applications (general)

92C40: Biochemistry, molecular biology

Uses Software

• Gromacs
• Macrodox
• LINCS
• PyMOL
• ClustalW
• PROCHECK