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pKa prediction

Wayne R. Baker baker at iastate.edu
Fri Mar 24 16:09:13 EST 1995

In bionet.molec-model,  Ben Davis <bjd12 at cus.cam.ac.uk> wrote
:Anyone got any advice on predicting pKa's using DelPhi (the plug on module
:for Insight II) ? I can get it to give me potentials, but that's it ...
:(or, if anyone happens to know an alternative programme to do this, could
:you let me know ...)

Can't help you with DelPhi, but there is a package written by Bashford
available via anonymous ftp. Look at Bashford, D., & Gerwert, K. (1992)
J. Mol. Bio. vol. 224 p473 for the ftp & program info, Bashford et al.
(1993) Biochemistry vol 32 p8045 for application. 

Wayne Baker (baker at iastate.edu)  	"37!?"
4288 Molecular Biology Building 	--Randall( Jeff Anderson )
Iowa State University            	"Clerks"
Ames IA 50011                   	
(515) 294 0781                  

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