[AMBER] heme parameters

From: Giulia <giulia.palermo.iit.it>
Date: Mon, 25 Feb 2013 14:58:15 +0100

Dear all,

I am searching parameters for the HEME cofactor within the cyclooxygenase enzyme.
The most used parameters for HEME are

Giammona, DA, D. Case, C. Bayly
Ph.D. thesis, University of California, Davis (1984)

Although these parameters are widely used, several research groups propose new ad-hoc parametrization.

Do you have any suggestion for the usage of HEME parameters in the specific case of the cyclooxygenase enzyme?

Thank you very much

Giulia



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Received on Mon Feb 25 2013 - 06:30:03 PST
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