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

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

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

Affiliation

Zuo Z; Drug Discovery and Design Centre, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, PR China.

Comput Biol Chem ; 31(3): 186-95, 2007 Jun.

Article in En | MEDLINE | ID: mdl-17500040

Subject(s)

Amyloid Precursor Protein Secretases/chemistry; Computer Simulation; Enzyme Precursors/chemistry; Models, Molecular; Alzheimer Disease/drug therapy; Alzheimer Disease/enzymology; Alzheimer Disease/metabolism; Amyloid Precursor Protein Secretases/metabolism; Amyloid beta-Protein Precursor/chemistry; Catalysis; Catalytic Domain; Drug Design; Enzyme Precursors/metabolism; Humans; Hydrogen Bonding; Protein Conformation; Static Electricity; Structural Homology, Protein; Thermodynamics; Water/chemistry

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Collection: 01-internacional Database: MEDLINE Main subject: Computer Simulation / Models, Molecular / Enzyme Precursors / Amyloid Precursor Protein Secretases Limits: Humans Language: En Journal: Comput Biol Chem Year: 2007 Document type: Article

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