Istvan Kovesi

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Molecular dynamics simulation of explicitly solvated horseradish peroxidase and of its Ca-depleted form have been carried out, and the trajectories have been analyzed by the essential dynamics method. The results indicate that the motion of the native species is defined by a few preferred directions identified by the first four eigenvectors. The(More)
Horseradish peroxidase C is a class III peroxidase whose structure is stabilized by the presence of two endogenous calcium atoms. Calcium removal has been shown to decrease the enzymatic activity of the enzyme and significantly affect the spectroscopically detectable properties of the heme, such as the spin state of the iron, heme normal modes, and(More)
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