RE: octanol-water partition coefficient calculations for peptides/small proteins

["Paul Hawkins" <phawkins*at*tripos.com>]

Title: CCL: octanol-water partition coefficient calculations for peptides/small proteins

Leonardo,

 

Try HINT! from Glen Kellogg at VCU

 

 

·http://www.eslc.vabiotech.com/hint/

 

 

Paul.

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From: Computational Chemistry List [mailto:chemistry-request*at*ccl.net] On Behalf Of LEDM (Leonardo De Maria)
Sent: Thursday, September 02, 2004 8:36 AM
To: CHEMISTRY*at*ccl.net
Subject: CCL:octanol-water partition coefficient calculations for peptides/small proteins

Hi out there,

can anyone point my attention to software to calculate the
octanol-water partition coefficient calculations of
peptides/small proteins (10-40 amino acids) besides PLOGP?

It will be appreciated if they use 3D information for that
purpose.

Regards,

Leonardo De Maria, PhD  Novozymes A/S
Research Scientist
Brudelysvej 26                  Bygning 1U.S25
Protein Design                  2880 Bagsveard
Molecular Biotechnology         Denmark                
        +45 44421890 direct
        +45 44980246 fax       
LeDM*at*novozymes.com              www.novozymes.com