Accessing a hidden conformation of the maltose binding protein using accelerated molecular dynamics

PLoS Computational Biology

Volumn 7, Issue 4, 2011, Pages

  Bucher, Denis ^a   Grant, Barry J ^a,b   Markwick, Phineus R ^a,b   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIA; BIOCHEMISTRY; FLEXIBLE STRUCTURES; MALTOSE; MOLECULAR DYNAMICS; NUTRIENTS; PROTEINS;

ACCELERATED MOLECULAR DYNAMICS; BINDING CLEFTS; BINDING PROTEINS; CHEMOTAXI; CONFORMATIONAL CHANGE; GRAM-NEGATIVE BACTERIA; LIGAND RECOGNITION; MALTOSE BINDING PROTEINS; NUTRIENT UPTAKE; TWO-DOMAIN ARCHITECTURE;

LIGANDS;

MALTOSE BINDING PROTEIN; LIGAND;

ALLOSTERISM; ARTICLE; BINDING SITE; COMPUTER SIMULATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; EQUILIBRIUM CONSTANT; HINGE REGION; HYDROGEN BOND; LIGAND BINDING; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; OSCILLATORY POTENTIAL; PREDICTION; PROTEIN MOTIF; PROTEIN STABILITY; STRUCTURE ANALYSIS; BIOLOGICAL MODEL; BIOLOGY; CHEMISTRY; ESCHERICHIA COLI; METABOLISM; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OSCILLOMETRY; PROTEIN CONFORMATION; STATIC ELECTRICITY; STATISTICAL MODEL; X RAY CRYSTALLOGRAPHY;

NEGIBACTERIA;

ALLOSTERIC SITE; BINDING SITES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ESCHERICHIA COLI; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MALTOSE-BINDING PROTEINS; MODELS, BIOLOGICAL; MODELS, STATISTICAL; OSCILLOMETRY; PROTEIN CONFORMATION; STATIC ELECTRICITY;

EID: 79955560141     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1002034     Document Type: Article

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