Exploring the inter-molecular interactions in amyloid-β protofibril with molecular dynamics simulations and molecular mechanics Poisson-Boltzmann surface area free energy calculations

Journal of Chemical Physics

Volumn 136, Issue 14, 2012, Pages

  Liu, Fu Feng ^a   Liu, Zhen ^a   Bai, Shu ^a   Dong, Xiao Yan ^a   Suna, Yan ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHAINS; ELECTROSTATICS; GLYCOPROTEINS; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTIONS; MOLECULAR MECHANICS; MOLECULAR STRUCTURE; NEURODEGENERATIVE DISEASES; PEPTIDES;

ENERGY DECOMPOSITION; FREE-ENERGY CALCULATIONS; HYDROPHOBIC RESIDUES; INTERACTION ENERGIES; INTERMOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; NONPOLAR INTERACTIONS; POISSON BOLTZMANN SURFACE AREAS (PBSA);

FREE ENERGY;

AMYLOID BETA PROTEIN; AMYLOID BETA PROTEIN (17 42); AMYLOID BETA-PROTEIN (17-42); PEPTIDE FRAGMENT;

ARTICLE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS; POISSON DISTRIBUTION; PROTEIN MULTIMERIZATION; PROTEIN SECONDARY STRUCTURE; SURFACE PROPERTY; THERMODYNAMICS;

AMYLOID BETA-PEPTIDES; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; PEPTIDE FRAGMENTS; POISSON DISTRIBUTION; PROTEIN MULTIMERIZATION; PROTEIN STRUCTURE, SECONDARY; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84859984432     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3702195     Document Type: Article

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