Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent

Journal of Physical Chemistry B

Volumn 113, Issue 1, 2009, Pages 267-274

  Chebaro, Yassmine ^a   Dong, Xiao ^a,b   Laghaei, Rozita ^b   Derreumaux, Philippe ^a   Mousseau, Normand ^b  

^a INST DE BIOLOGIE PHYSICO CHIMIQUE   (France)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; FREE ENERGY; MODEL STRUCTURES; MOLECULAR DYNAMICS; PEPTIDES; SOLVENTS; THERMODYNAMICS; ZINC;

ALANINE-BASED PEPTIDES; COARSE-GRAINED; COILED COIL PEPTIDES; COMPUTATIONAL BURDENS; CONFIGURATIONAL SPACES; CONVERGENCE TO EQUILIBRIUMS; EQUILIBRIUM PROPERTIES; EXPLICIT SOLVENTS; FINGER MOTIFS; FREE ENERGY SURFACES; IMPLICIT SOLVENTS; PROTEIN G; PROTEIN MODELS; REDUCED REPRESENTATIONS; REPLICA EXCHANGE MOLECULAR DYNAMICS; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS;

DYNAMICS;

PEPTIDE; PROTEIN; SOLVENT;

AMINO ACID SEQUENCE; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; MOLECULAR GENETICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; TEMPERATURE; THERMODYNAMICS;

AMINO ACID SEQUENCE; COMPUTER SIMULATION; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR SEQUENCE DATA; PEPTIDES; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEINS; SOLVENTS; TEMPERATURE; THERMODYNAMICS;

EID: 61749091340     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805309e     Document Type: Article

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