Dear Sir,

I am working in the field of = Quantitative Structure=20 Activity Relationship of tuberculostatic drugs. Can you please send me = the=20 database ( empirical, non-empirical ) of any TB drug molecule = immediately? This=20 will help me in drug design. Waiting for your reply. = Regards,

Dr. M. C. Bagchi

Scientist, Indian Institute of Chemical = Biology

Jadavpur, Calcutta 700032, = INDIA

e-mail : mcbagchi@iicb.res.in

=20 mcbagchi@hotmail.com

------=_NextPart_000_0007_01C257F7.B7A24980-- From chemistry-request@server.ccl.net Mon Sep 9 07:06:46 2002 Received: from iris (mail@[152.66.63.5]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g89B6j320360 for ; Mon, 9 Sep 2002 07:06:46 -0400 Received: from janka (helo=localhost) by iris with local-esmtp (Exim 3.35 #1 (Debian)) id 17oMNR-0008Ef-00 for ; Mon, 09 Sep 2002 13:06:45 +0200 Date: Mon, 9 Sep 2002 13:06:45 +0200 (CEST) From: Matrai Janka To: chemistry@ccl.net Subject: Autodock In-Reply-To: <200209061047.45178.alessandro.contini@unimi.it> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Everybody, I would like to ask you about changing some parameters in Autodock. I would like to perform large scale search over the whole surface of my protein, but the program does it only in a small vicinity of the initially given coordinates of the ligand, regardless on location of those coordinates. I do not know in exactly which part of the program and which parameter(s) to change in order to make my ligand move along the whole surface. Thank you for your help in advance, Janka From chemistry-request@server.ccl.net Mon Sep 9 07:14:47 2002 Received: from ns1.tudelft.nl ([130.161.180.1]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g89BEk320698 for ; Mon, 9 Sep 2002 07:14:46 -0400 Received: from CONVERSION-DAEMON.mailhost2.tudelft.nl by mailhost2.tudelft.nl (PMDF V6.1-1 #40925) id <0H2600F014KJXB@mailhost2.tudelft.nl> for chemistry@ccl.net; Mon, 09 Sep 2002 13:14:46 +0200 (MEST) Received: from listserv.tudelft.nl (listserv.tudelft.nl [130.161.180.33]) by mailhost2.tudelft.nl (PMDF V6.1-1 #40925) with ESMTP id <0H2600BLV4KJLB@mailhost2.tudelft.nl> for chemistry@ccl.net; Mon, 09 Sep 2002 13:14:43 +0200 (MEST) Received: from stm-ltc2.dct.tudelft.nl (stm-ltc2.dct.tudelft.nl [130.161.196.198]) by listserv.tudelft.nl (8.12.5/8.12.5) with ESMTP id g89BEbp2029056; Mon, 09 Sep 2002 13:14:43 +0200 (MEST) Received: from STM-LTC2/SpoolDir by stm-ltc2.dct.tudelft.nl (Mercury 1.47) ; Mon, 09 Sep 2002 13:14:43 +0000 (MET-1MEST) Received: from SpoolDir by STM-LTC2 (Mercury 1.47); Mon, 09 Sep 2002 13:14:29 +0000 (MET-1MEST) Date: Mon, 09 Sep 2002 13:14:26 +0200 From: Martijn Zwijnenburg Subject: Re: CCL:Database of Force Field Parameters. In-reply-to: <001d01c25387$c79c6100$33e46b8f@if.sc.usp.br> To: Alexandre Suman de Araujo Cc: chemistry@ccl.net Message-id: <3D7C9EB0.25320.1643B86B@localhost> MIME-version: 1.0 X-Mailer: Pegasus Mail for Win32 (v3.12c) Content-type: text/enriched; charset=ISO-8859-1 Content-transfer-encoding: QUOTED-PRINTABLE Priority: normal 0100,0100,0100Hi,=0D=0A=0D=0A=0D=0AMay= be somebody already answered your question, but you could check out:= =0D=0Ahttp://www.ri.ac.uk/Potentials/Pb/ part of the Royal Institutio= ns Database of Published=0D=0AInteratomic ParametersTimes New Roman=0D=0A=0D=0A=0D=0A=0D=0AA= rialcheers,=0D=0A=0D=0AMartijn=0D=0A=0D=0A=0D=0A=0D=0AOn 3 Sep 2002, at 17:23, Alexandre Suman de Araujo wrote:=0D=0A=0D= =0A=0D=0A7F00,0000,0000> I'm looking for force = field parameters for Pb ion but I couldn't find=0D=0A=0D=0A> anything= (until now). I'd like to know if exist some database of these=0D=0A= =0D=0A> parameters for diverse type of atoms.=0D=0A=0D=0A> If someone= knows where I can find Pb ion parameters I'd be very glad.=0D=0A= =0D=0A> Thanks!=0D=0A=0D=0A>=0D=0A=0D=0A> []'s=0D=0A=0D=0A> Alexandre= Suman de Araujo=0D=0A=0D=0A> IFSC - USP - S=E3o Carlos=0D=0A=0D=0A> = UIN: 6194055=0D=0A=0D=0A>=0D=0A=0D=0A>=0D=0A=0D=0A>=0D=0A=0D=0A>=0D= =0A=0D=0A> -=3D This is automatically added to each message by mailin= g script =3D-=0D=0A=0D=0A> CHEMISTRY@ccl.net -- To Everybody | CHEMI= STRY-REQUEST@ccl.net -- To Admins=0D=0A=0D=0A> Ftp: ftp.ccl.net | W= WW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net=0D=0A=0D=0A>= =0D=0A=0D=0A>=0D=0A=0D=0A>=0D=0A=0D=0A>=0D=0A=0D=0A>=0D=0A=0D=0A>= =0D=0A=0D=0A=0D=0A=0D=0A=0D=0A-------------------------------= ------------------------------------------=0D=0AMartijn Zwijnenburg= =0D=0ALab. of Applied Organic Chemistry and Catalysis=0D=0ADelft Univ= ersity of Technology=0D=0AJulianalaan 136=0D=0A2628 BL Delft=0D=0AThe= Netherlands=0D=0ATel: 0031-(0)152782691=0D=0AFax: 0031-(0)152784700= =0D=0Ae-mail: M.A.Zwijnenburg@tnw.tudelft.nl=0D=0Aweb page: http://co= me.to/tock=0D=0A=