Insights into the folding pathway of the Engrailed Homeodomain protein using replica exchange molecular dynamics simulations

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 3, 2010, Pages 481-491

  Koulgi, Shruti ^a   Sonavane, Uddhavesh ^a   Joshi, Rajendra ^a  

^a CENTRE FOR DEVELOPMENT OF ADVANCED COMPUTING   (India)

Author keywords

Engrailed Homeodomain; Molecular dynamics simulations; PCA; Protein folding; REMD

Indexed keywords

DNA-BINDING PROTEIN; DROSOPHILA MELANOGASTER; FOLDING PATHWAY; FORCE FIELDS; HELIX BUNDLE; HELIX-TURN-HELIX MOTIFS; HOMEODOMAIN; HOMEODOMAIN PROTEINS; METROPOLIS CRITERION; MOLECULAR DYNAMICS SIMULATIONS; NATIVE STATE; NATIVE STRUCTURES; PCA; REMD; REPLICA EXCHANGE MOLECULAR DYNAMICS; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS; ROOT MEAN SQUARE DEVIATIONS; SECONDARY STRUCTURES; SIMULATION TIME; SOLVATION MODELS; TEMPERATURE RANGE; TIME INTERVAL; TIME-SCALE SIMULATION;

DYNAMICS; PROTEIN FOLDING;

MOLECULAR DYNAMICS;

DNA; DNA BINDING PROTEIN; HELIX LOOP HELIX PROTEIN; HOMEODOMAIN PROTEIN;

ANALYTIC METHOD; ARTICLE; MOLECULAR DYNAMICS; POPULATION DISTRIBUTION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN MOTIF; PROTEIN STRUCTURE; REPLICA EXCHANGE MOLECULAR DYNAMICS; SIMULATION; SOLVATION; TEMPERATURE; TEMPERATURE MEASUREMENT;

ANIMALS; DROSOPHILA MELANOGASTER; HOMEODOMAIN PROTEINS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS; TRANSCRIPTION FACTORS;

DROSOPHILA MELANOGASTER;

EID: 78649528985     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.09.007     Document Type: Article

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