Folding Atomistic Proteins in Explicit Solvent Using Simulated Tempering

Journal of Physical Chemistry B

Volumn 119, Issue 23, 2015, Pages 6941-6951

  Zhang, Tong ^a,b   Nguyen, Phuong H ^a   Nasica Labouze, Jessica ^a,c   Mu, Yuguang ^b   Derreumaux, Philippe ^a,d  

^a France   (France)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^c SISSA   (Italy)

^d INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BIOINFORMATICS; DIMERS; FREE ENERGY; MOLECULAR DYNAMICS; PEPTIDES; QUANTUM THEORY; SOLVENTS; TEMPERING;

EFFICIENCY AND RELIABILITY; EXPLICIT SOLVENTS; IMPLICIT SOLVENTS; MOLECULAR SYSTEMS; PROTEIN AGGREGATES; PROTEIN MODELING; REPLICA EXCHANGE MOLECULAR DYNAMICS; SIMULATED TEMPERING;

PROTEINS;

ALANINE; AMYLOID BETA PROTEIN; AMYLOID BETA-PROTEIN (16-22); CHIGNOLIN; OLIGOPEPTIDE; PEPTIDE; PEPTIDE FRAGMENT; SOLVENT; TRP-CAGE PEPTIDE; WATER;

CHEMISTRY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROTEIN FOLDING; TEMPERATURE;

ALANINE; AMYLOID BETA-PEPTIDES; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOPEPTIDES; PEPTIDE FRAGMENTS; PEPTIDES; PROTEIN FOLDING; SOLVENTS; TEMPERATURE; WATER;

EID: 84935905798     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b03381     Document Type: Article

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