From owner-chemistry@ccl.net Sun Feb  1 05:06:01 2009
From: "hirdesh kumar hirdeshs8%x%gmail.com" <owner-chemistry]~[server.ccl.net>
To: CCL
Subject: CCL: Structure based Pharmacophore Free software
Message-Id: <-38532-090130130648-17946-2+WsUYZZ4c8Rr15RLdwfCw]~[server.ccl.net>
X-Original-From: hirdesh kumar <hirdeshs8(_)gmail.com>
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Date: Fri, 30 Jan 2009 23:23:27 +0530
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Sent to CCL by: hirdesh kumar [hirdeshs8 : gmail.com]

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Hi All;
I am looking for any freely available software for structure based
pharmacophore model. Is there any one who can suggest me the same and also
if possible then the list of freely available softwares for drug designing.?

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<br clear="all">Hi All;<br>I am looking for any freely available software for structure based pharmacophore model. Is there any one who can suggest me the same and also if possible then the list of freely available softwares for drug designing.?<br>


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From owner-chemistry@ccl.net Sun Feb  1 08:39:00 2009
From: "amr hamed dramr83---gmail.com" <owner-chemistry#,#server.ccl.net>
To: CCL
Subject: CCL: Structure based Pharmacophore Free software
Message-Id: <-38533-090201075625-29967-GFR7IfsmgSo561jOhS5xdg#,#server.ccl.net>
X-Original-From: amr hamed <dramr83 _ gmail.com>
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Date: Sun, 1 Feb 2009 13:44:37 +0200
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Sent to CCL by: amr hamed [dramr83(!)gmail.com]
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I think u can try ligandscout for 30 days .....The current version is
2.02.Ligandscout
is from a company called inte ligand

On Fri, Jan 30, 2009 at 7:53 PM, hirdesh kumar hirdeshs8%x%gmail.com <
owner-chemistry|*|ccl.net> wrote:

>
> Hi All;
> I am looking for any freely available software for structure based
> pharmacophore model. Is there any one who can suggest me the same and also
> if possible then the list of freely available softwares for drug designing.?
>

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<div dir=3D"ltr">I think u can try ligandscout for 30 days .....The current=
 version is 2.02.<div>Ligandscout is from a company called inte ligand<br><=
br><div class=3D"gmail_quote">On Fri, Jan 30, 2009 at 7:53 PM, hirdesh kuma=
r hirdeshs8%x%<a href=3D"http://gmail.com">gmail.com</a> <span dir=3D"ltr">=
&lt;<a href=3D"mailto:owner-chemistry|*|ccl.net">owner-chemistry|*|ccl.net</a>&=
gt;</span> wrote:<br>
<blockquote class=3D"gmail_quote" style=3D"margin:0 0 0 .8ex;border-left:1p=
x #ccc solid;padding-left:1ex;"><br clear=3D"all">Hi All;<br>I am looking f=
or any freely available software for structure based pharmacophore model. I=
s there any one who can suggest me the same and also if possible then the l=
ist of freely available softwares for drug designing.?<br>


</blockquote></div><br></div></div>

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From owner-chemistry@ccl.net Sun Feb  1 16:51:00 2009
From: "Amir Taghavi amirtaghavi**khayam.ut.ac.ir" <owner-chemistry/a\server.ccl.net>
To: CCL
Subject: CCL: How are the pair VDW parameters calculated in mm3 force field?
Message-Id: <-38534-090201164821-22755-K2SIUHMYfUainovWkMegDg/a\server.ccl.net>
X-Original-From: "Amir  Taghavi" <amirtaghavi_._khayam.ut.ac.ir>
Date: Sun, 1 Feb 2009 16:48:17 -0500


Sent to CCL by: "Amir  Taghavi" [amirtaghavi=-=khayam.ut.ac.ir]
Hi,
In mm3 force field, how does this force field calculate the pair VDW parameters? does this force field use the lorentz-berthelot combining rule?
thanks,


From owner-chemistry@ccl.net Sun Feb  1 17:26:01 2009
From: "Morad M El-Hendawy m80elhendawy_-_yahoo.com" <owner-chemistry ~ server.ccl.net>
To: CCL
Subject: CCL: The most important journals in computational chemistry area
Message-Id: <-38535-090201153451-4936-r3AiRm4MFdn8CpDTvPF7/Q ~ server.ccl.net>
X-Original-From: "Morad M El-Hendawy" <m80elhendawy**yahoo.com>
Date: Sun, 1 Feb 2009 15:34:47 -0500


Sent to CCL by: "Morad M El-Hendawy" [m80elhendawy^-^yahoo.com]
Dear All,
I would like to know the most important journals in computational chemistry fields on the world.
Best regards,
Morad M. El-Hendawy 
Theoretical Chemistry Research Unit (TCRU) 
Chemistry Department 
Faculty of Science 
Tanta University 
Tanta 31527, EGYPT
Mobile:  002-0166449378