Solvent Dielectric Effect and Side Chain Mutation on the Structural Stability of Burkholderia cepacia Lipase Active Site: A Quantum Mechanical/Molecular Mechanics Study

Acta Biotheoretica

Volumn 59, Issue 3-4, 2011, Pages 291-312

  Tahan, A ^a   Monajjemi, M ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Burkholderia cepacia lipase; Molecular dynamics simulation; Side chain mutation; Solvent effect

Indexed keywords

SOLVENT; TRIACYLGLYCEROL LIPASE; WATER;

BACTERIUM; DIELECTRIC PROPERTY; MOLECULAR ANALYSIS; MUTATION; OXYGEN; QUANTUM MECHANICS; SOLVENT;

ARTICLE; BURKHOLDERIA CEPACIA; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; GENETICS; HYDROGEN BOND; METABOLISM; MOLECULAR DYNAMICS; MUTATION; PH; QUANTUM THEORY;

BURKHOLDERIA CEPACIA; CATALYTIC DOMAIN; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; LIPASE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MUTATION; QUANTUM THEORY; SOLVENTS; WATER;

BURKHOLDERIA CEPACIA;

EID: 80855148208     PISSN: 00015342     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10441-011-9137-x     Document Type: Article

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