Dynamics of water molecules buried in cavities of apolipoprotein E studied by molecular dynamics simulations and continuum electrostatic calculations

Biopolymers

Volumn 75, Issue 2, 2004, Pages 196-207

  Prévost, Martine ^a  

^a UNIVERSITÉ LIBRE DE BRUXELLES   (Belgium)

Author keywords

Apolipoprotein; Helix bundle; Molecular dynamics; Protein cavity; Water exchange

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; CORRELATION METHODS; CRYSTALS; ION EXCHANGE; MOLECULAR DYNAMICS; WATER;

APOLIPOPROTEINS; CRYSTAL WATER; MOLECULAR DYNAMICS SIMULATIONS;

PROTEINS;

APOLIPOPROTEIN E; WATER;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; ELECTRIC ACTIVITY; ENTROPY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; PROTEIN FUNCTION; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; WATER ANALYSIS; WATER STRUCTURE;

APOLIPOPROTEINS E; COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN BONDING; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; WATER;

EID: 4944233531     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.20116     Document Type: Article

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