Structural and thermodynamic investigations on the aggregation and folding of acylphosphatase by molecular dynamics simulations and solvation free energy analysis

Journal of the American Chemical Society

Volumn 133, Issue 18, 2011, Pages 7075-7083

  Chong, Song Ho ^a   Lee, Chewook ^a   Kang, Guipeun ^a   Park, Mirae ^a   Ham, Sihyun ^a  

^a Sookmyung Women's University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATION RATE; ATOMIC LEVEL STRUCTURE; ATOMIC RESOLUTION; DIMENSIONAL REFERENCE; FOLDING KINETICS; FOLDING PROCESS; FOLDING RATES; H-BONDING NETWORKS; HELICAL CONTENT; HELICITIES; HYDROPHOBIC CORE; KINETICS AND THERMODYNAMICS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR ORIGINS; MUTATION EFFECTS; MUTATION SITES; NATIVE-STATE PROTEIN; NON-NATIVE; PROTEIN ENGINEERING; SIDE CHAINS; SOLVATION FREE ENERGIES; STRUCTURAL MOTIFS; STRUCTURAL ORIGIN; THERMODYNAMIC INVESTIGATION; THERMODYNAMIC QUANTITIES; WILD TYPES;

ENERGY MANAGEMENT; FREE ENERGY; GENETIC ENGINEERING; HYDROPHILICITY; HYDROPHOBICITY; KINETIC ENERGY; MOLECULAR DYNAMICS; SOLVATION; THERMODYNAMICS; THREE DIMENSIONAL; THREE DIMENSIONAL COMPUTER GRAPHICS;

ATOMS;

ACYLPHOSPHATASE;

ALPHA HELIX; ARTICLE; ENZYME STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; PROTEIN AGGREGATION; THERMODYNAMICS;

ACID ANHYDRIDE HYDROLASES; AMINO ACID SEQUENCE; ANIMALS; HORSES; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MUSCLE PROTEINS; MUSCLE, SKELETAL; MUTATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 79955690859     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1116233     Document Type: Article

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