Subject: Glycosidic enzymes

From: A J Turner <[email-masked]>
Date: Sat, 8 Jun 1996 22:26:13 +0100 (BST)

Hi!

I am performing QM/MM modeling using a local development of the CHARMM
program.  At present I wish to compare the ability of this program to
model glycoside hydrolysis with COSMO and similar methods (in solution).

However, the aim is to move on to enzyme work a.s.a.p.  So - does anyone
know of an enzyme involved with glycoside hydrolisys (or similar
reactions) for which a structure is known and some kinetic isotope effects
are known?

Thanks in advance

Alex

P.S. Thanks for the help on ESP/MOPAC.  The best resonces have been on CCL
anyway, but if anyone is especially interested I will forward all
responces.

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