Exploration of the activation pathway of Δα-Chymotrypsin with molecular dynamics simulations and correlation with kinetic experiments

European Biophysics Journal

Volumn 38, Issue 1, 2008, Pages 13-23

  Mátrai, Janka ^a   Jonckheer, Abel ^a   Joris, Eddy ^a   Krüger, Peter ^a,b   Carpenter, Eric ^c,d   Tuszynski, Jack ^c,d   De Maeyer, Marc ^e   Engelborghs, Yves ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b ALA Analytisches Labor GmbH   (Germany)

^c UNIVERSITY OF ALBERTA   (Canada)

^d CROSS CANCER INSTITUTE   (Canada)

^e IRC KUL Campus Kortrijk   (Belgium)

Author keywords

Conformational changes; Fluorescence stopped flow; Kinetics; Molecular dynamics; Multiple simulations; Targeted molecular dynamics

Indexed keywords

CHYMOTRYPSIN A;

ARTICLE; COMPUTER SIMULATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; ENERGY TRANSFER; ENZYME KINETICS; FLUORESCENCE SPECTROSCOPY; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PROTEIN CONFORMATION; RAT;

ANIMALS; BINDING SITES; CHYMOTRYPSIN; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; RATS;

RATTUS;

EID: 55349141739     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-008-0348-2     Document Type: Article

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