From chemistry-request@ccl.net Thu Sep 2 12:31:06 2004 Received: from mx1.tripos.com (mx1.tripos.com [192.160.145.7]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i82HV59C007341 for ; Thu, 2 Sep 2004 12:31:05 -0500 Message-ID: From: "Paul Hawkins" To: "'LEDM \(Leonardo De Maria\)'" , Date: Thu, 2 Sep 2004 13:40:18 -0400 Subject: RE: octanol-water partition coefficient calculations for peptides/small proteins MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="--=_NextPart_ST_12_39_54_Thursday_September_02_2004_356" X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4925.2800 In-Reply-To: <76F96CFE2AA2114C886B028A065A7FC4023DE626*at*exdkba020.novo.dk> Thread-Index: AcSQ6XI1UowADAeHTSCRMoB1lDMc9gAKls2Q X-eShield-AntiVirus: Passed X-eShield-AntiVirus-Message: Scanned by http://www.bluecoat.com/eShield X-Spam-Status: No, hits=4.3 required=7.5 tests=HTML_60_70,HTML_FONTCOLOR_BLUE, HTML_FONT_BIG,HTML_MESSAGE,MIME_BOUND_NEXTPART,MK_BAD_HTML_16, YM_USELESS_U autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This is a multi-part message in MIME format. ----=_NextPart_ST_12_39_54_Thursday_September_02_2004_356 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Leonardo, Try HINT! from Glen Kellogg at VCU .http://www.eslc.vabiotech.com/hint/ Paul. _____ 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 ----=_NextPart_ST_12_39_54_Thursday_September_02_2004_356 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable CCL: octanol-water partition coefficient calculations fo= r peptides/small proteins
Leonardo,
 
Try HINT! from Glen Kellogg at VCU
 
 
·http://www.eslc.vabiotech.com/= hint/=20
 
 
Paul.

From: Computational Chemistry List=20 [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 coefficien= t=20 calculations for peptides/small proteins

Hi out there,

can anyone point my attention to sof= tware to=20 calculate the
octanol-water = partition=20 coefficient calculations of
peptides/small proteins (10-40 amino acids) besides PLOGP? =

It will be appreciated if they use 3= D=20 information for that
purpose= =2E=20

Regards,

Leonardo De Maria,= PhD =20 Novozymes A/S
Research Scientist
Brudelysvej 26 =20        =20         Bygning 1U.S25=20
P= rotein=20 Design         =20         2880 Bagsveard
Molecular Biotechnology=20         Denmark        =20        
        +45 44421890 direct
        +45 44980246 fax     &nbs= p; =20
LeDM*at*novozymes.com     =20         www.novozymes.com

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