Influence of ionization state on the activation of temocapril by hCES1: A molecular-dynamics study

Chemistry and Biodiversity

Volumn 6, Issue 11, 2009, Pages 2092-2100

  Vistoli, Giulio ^a   Pedretti, Alessandro ^a   Mazzolari, Angelica ^a   Bolchi, Cristiano ^a   Testa, Bernard ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b LAUSANNE UNIVERSITY HOSPITAL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AMPHOLYTE; CARBOXYLESTERASE; CATION; LIGAND; LYSINE; TEMOCAPRIL; TEMOCAPRILAT;

ALGORITHM; CATALYSIS; CONFERENCE PAPER; DRUG ACTIVATION; DRUG HYDROLYSIS; ENZYME STRUCTURE; IONIZATION; MOLECULAR DYNAMICS; SIMULATION;

ALGORITHMS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; BIOTRANSFORMATION; CARBOXYLESTERASE; COMPUTER SIMULATION; ELECTROCHEMISTRY; LIGANDS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; POTENTIOMETRY; SOFTWARE; THIAZEPINES; X-RAY DIFFRACTION;

EID: 72449137144     PISSN: 16121872     EISSN: 16121880     Source Type: Journal    
DOI: 10.1002/cbdv.200900174     Document Type: Conference Paper

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