Atomic picture of ligand migration in toluene 4-monooxygenase

Journal of Physical Chemistry B

Volumn 119, Issue 3, 2015, Pages 671-678

  Hosseini, Ali ^a   Brouk, Moran ^b   Lucas, Maria Fatima ^a   Glaser, Fabian ^b   Fishman, Ayelet ^b   Guallar, Victor ^a,c  

^a BARCELONA SUPERCOMPUTING CENTER   (Spain)

^b TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROPHOBICITY;

AROMATIC MOLECULES; ATOMIC PICTURES; COMPUTATIONAL MODEL; HYDROPHOBIC CAVITIES; MIGRATION PATHWAY; MUTATIONAL EFFECTS; PROTEIN SURFACE; TOLUENE 4-MONOOXYGENASE;

TOLUENE;

LIGAND; OXYGENASE; TOLUENE-4-MONOOXYGENASE;

CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; ESCHERICHIA COLI; METABOLISM; MOVEMENT (PHYSIOLOGY);

CATALYTIC DOMAIN; ESCHERICHIA COLI; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MODELS, MOLECULAR; MOVEMENT; OXYGENASES;

EID: 84921450377     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp502509a     Document Type: Article

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