Molecular dynamics simulations of polyglutamine aggregation using solvent-free multiscale coarse-grained models

Journal of Physical Chemistry B

Volumn 114, Issue 26, 2010, Pages 8735-8743

  Wang, Yanting ^a   Voth, Gregory A ^b  

^a INSTITUTE OF THEORETICAL PHYSICS   (China)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHAIN LENGTH; MOLECULAR DYNAMICS; MONOMERS; SAMPLING; SELF ASSEMBLY; SOLVENTS;

ALL-ATOM MODEL; ALL-ATOM SIMULATIONS; COARSE GRAINED MODELS; COARSE GRAINING; DEGREE OF AGGREGATION; DEGREES OF FREEDOM; EXPERIMENTAL OBSERVATION; HIGH CONCENTRATION; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALES; NONBONDED INTERACTION; POLYGLUTAMINE; SOLID STRUCTURES; SOLVENT FREE; STATISTICAL SAMPLING; WATER SOLUTIONS;

COMPUTER SIMULATION;

PEPTIDE; POLYGLUTAMINE; SOLVENT;

CHEMISTRY; DIMERIZATION; MOLECULAR DYNAMICS; PROTEIN CONFORMATION;

DIMERIZATION; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN CONFORMATION; SOLVENTS;

EID: 77954320891     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1007768     Document Type: Article

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