Multicoordinate driven method for approximating enzymatic reaction paths: Automatic definition of the reaction coordinate using a subset of chemical coordinates

Journal of Physical Chemistry A

Volumn 110, Issue 2, 2006, Pages 772-778

  Berente, Imre ^a   Náray Szabó, Gábor ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL COORDINATES; ENZYMATIC REACTIONS; TRANSITION STATES;

ATOMS; COMPUTATIONAL METHODS; HYDROLYSIS; MOLECULES; PHASE TRANSITIONS; WATER;

ENZYME KINETICS;

DUTP PYROPHOSPHATASE; ENZYME; INORGANIC PYROPHOSPHATASE; WATER;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; EVALUATION; HYDROLYSIS; METABOLISM; TECHNIQUE;

BINDING SITES; ENZYMES; HYDROLYSIS; METHODS; MODELS, CHEMICAL; PYROPHOSPHATASES; WATER;

EID: 31544480363     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054116z     Document Type: Article

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