Partition Coefficient Calculators

From: Shaun Black <BLACK %! at !% OHSTPHRM.PHARMACY.OHIO-STATE.EDU>
Subject: Partition Coefficient Calculators
Date: Mon, 18 Mar 91 14:11:59 EST

I have some information that may be useful.  First, there was an article in
 C&E News (9/19/88, volume 27) that described a new firm CompuDrug USA of
 Austin, Texas.  They were marketing a program "Pro-logp" which is an
 expert
 system approach to estimation of the hydrophobicity of a compound from its
 structure.  It runs on IBM/compatibles and VAX systems.
 Second, we have just published a new set of log(P) (o/w) based params for the
 standard twenty amino acids and for about twenty post- or co-translationally
 modified derivatives (Black, S.D. and Mould, D.R. (1991) Anal. Biochem. 193:
 72-82).  Our approach correlates very well with empirical studies of others
 (for the standard twenty) and would seem to be a reasonable way into various
 aspects of protein polarity/hydrophobicity.
 I hope this will be helpful to you.  Enjoy!
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 Shaun D. Black          | Bitnet: black %! at !% ohstphrm.bitnet
 Ohio State University   | Internet: black %! at !%
 ohstphrm.pharmacy.ohio-state.edu
 College of Pharmacy     | Phone: (614) 292-3925
 500 West 12th Avenue    | FAX:   (614) 292-2435
 Columbus, OH 43210-1291 | :-)
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