Molecular dynamics simulations of human butyrylcholinesterase

Proteins: Structure, Function and Genetics

Volumn 59, Issue 1, 2005, Pages 104-117

  Suárez, Dimas ^a   Field, Martin J ^b  

^a UNIVERSITY OF OVIEDO   (Spain)

^b CEA GRENOBLE   (France)

Author keywords

Atomistic simulations; Cholinesterases; pKa calculations; Protein surfaces; Water structure

Indexed keywords

CHOLINESTERASE; GLUTAMIC ACID; HISTIDINE; SERINE; SODIUM ION; WATER;

AQUEOUS SOLUTION; ARTICLE; BINDING SITE; CATALYSIS; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME CONFORMATION; ENZYME STRUCTURE; HUMAN; MOLECULAR DYNAMICS; PKA; PRIORITY JOURNAL; SIMULATION; SOLVATION; WATER TRANSPORT; X RAY CRYSTALLOGRAPHY;

ANIMALS; BINDING SITES; BUTYRYLCHOLINESTERASE; CATALYSIS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HUMANS; KINETICS; MICE; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 14644424535     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20398     Document Type: Article

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