Benchmarking implicit solvent folding simulations of the amyloid β(10-35) fragment

Journal of Physical Chemistry B

Volumn 112, Issue 19, 2008, Pages 6175-6186

  Kent, Andrew ^a,c   Jha, Abhishek K ^a,b,c   Fitzgerald, James E ^a,c   Freed, Karl F ^a,c  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; GLYCOPROTEINS; MODELS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OLIGOMERS; PHASE EQUILIBRIA; POLYMERS; PROTEIN FOLDING; PROTEINS; QUANTUM CHEMISTRY; SOLVENTS; TRAJECTORIES;

AMYLOID PROTEINS; ATOMISTIC MOLECULAR-DYNAMICS; COMPUTATIONAL MODELLING; COMPUTATIONAL STUDIES; CONVERGENCE TO EQUILIBRIUM; DYNAMIC PROPERTIES; EXPLICIT WATER; FORCE FIELD; FORCE FIELDS; IMPLICIT SOLVENT MODELS; IMPLICIT SOLVENTS; INITIAL STRUCTURES; LANGEVIN DYNAMICS; MD SIMULATIONS; ON TIME; ORDER PARAMETER; PHYSICAL FEATURES; WATER MODELING; WATER SIMULATIONS;

DYNAMICS;

AMYLOID BETA PROTEIN; AMYLOID BETA PROTEIN (10 35); AMYLOID BETA-PROTEIN (10-35); PEPTIDE FRAGMENT; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN FOLDING; PROTEIN TERTIARY STRUCTURE; SURFACE PROPERTY;

AMYLOID BETA-PROTEIN; COMPUTER SIMULATION; DIFFUSION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PEPTIDE FRAGMENTS; PROTEIN FOLDING; PROTEIN STRUCTURE, TERTIARY; SOLVENTS; SURFACE PROPERTIES; WATER;

EID: 44949166524     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp077099h     Document Type: Article

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