Dynamics in the active site of β-secretase: A network analysis of atomistic simulations

Biochemistry

Volumn 50, Issue 43, 2011, Pages 9328-9339

  Mishra, Sabyashachi ^a   Caflisch, Amedeo ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION FREE ENERGY; ACTIVE SITE; ALZHEIMERS DISEASE; AMYLOID PRECURSOR PROTEINS; ASPARTIC PROTEASE; ATOMISTIC SIMULATIONS; C-TERMINAL FRAGMENTS; CATALYTIC CYCLES; CLEAVAGE PRODUCTS; CONFORMATIONAL DYNAMICS; EXPLICIT SOLVENTS; FREE ENERGY SURFACE; HYDROLYSIS REACTION; N-TERMINALS; NON-COVALENT INTERACTION; PEPTIDE BONDS; SECRETASES; SIMULATION TIME; SPONTANEOUS RELEASE; STRUCTURAL REARRANGEMENT; TIME CONSTANTS; TIME DEPENDENCE; TRANSMEMBRANES; TWO-STATE;

ACTIVATION ANALYSIS; ACTIVATION ENERGY; COMPLEXATION; ELECTRIC NETWORK ANALYSIS; FREE ENERGY; GLYCOPROTEINS; HYDROGEN BONDS; HYDROLYSIS; MOLECULAR DYNAMICS; REACTION KINETICS;

COMPUTER SIMULATION;

AMYLOID PRECURSOR PROTEIN; ASPARTIC PROTEINASE; BETA SECRETASE; GAMMA SECRETASE; OCTAPEPTIDE;

ARTICLE; CARBOXY TERMINAL SEQUENCE; ENZYME ACTIVE SITE; HYDROGEN BOND; HYDROLYSIS; MOLECULAR DYNAMICS; NONHUMAN; PLASTICITY; PRIORITY JOURNAL;

ALZHEIMER DISEASE; AMYLOID PRECURSOR PROTEIN SECRETASES; CATALYTIC DOMAIN; HUMANS; HYDROGEN BONDING; HYDROLYSIS; MOLECULAR DYNAMICS SIMULATION; PEPTIDES;

EID: 80054971912     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi2011948     Document Type: Article

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