From Christoph.Helma@univie.ac.at Fri Aug 22 06:19:13 1997 Received: from mailbox.univie.ac.at for Christoph.Helma@univie.ac.at by www.ccl.net (8.8.3/950822.1) id FAA08056; Fri, 22 Aug 1997 05:31:26 -0400 (EDT) Received: from helma (ch@helma.cancer.univie.ac.at [192.174.64.54]) by mailbox.univie.ac.at (8.8.4/8.8.4) with SMTP id LAA05614 for ; Fri, 22 Aug 1997 11:31:07 +0200 Sender: ch@mailbox.univie.ac.at Message-ID: <33FD565F.1E1FBA85@univie.ac.at> Date: Fri, 22 Aug 1997 11:05:36 +0200 From: Christoph Helma Organization: Institute for Tumor Biology- Cancer Research X-Mailer: Mozilla 3.01 (X11; I; Linux 1.2.8 i486) MIME-Version: 1.0 Newsgroups: bionet.toxicology,sci.environment CC: chemistry@www.ccl.net Subject: Biodegradability Database Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit I am looking for a database with the biodegradability of organic compounds (for a SAR project). Can you give me some hints? Thank you, Christoph Helma -- Christoph Helma Inst. f. Tumorbiologie- Krebsforschung Borschkeg. 8a A-1090 Wien, Austria Fax: ++43-1-406 07 90 From mbskowro@cyf-kr.edu.pl Fri Aug 22 09:19:16 1997 Received: from info.cyf-kr.edu.pl for mbskowro@cyf-kr.edu.pl by www.ccl.net (8.8.3/950822.1) id JAA08653; Fri, 22 Aug 1997 09:15:36 -0400 (EDT) Received: from kinga.cyf-kr.edu.pl (kinga.cyf-kr.edu.pl [149.156.4.10]) by info.cyf-kr.edu.pl (8.8.7/8.8.6) with ESMTP id PAA06668 for ; Fri, 22 Aug 1997 15:15:31 +0200 (METDST) Received: (from mbskowro@localhost) by kinga.cyf-kr.edu.pl (8.8.7/8.8.6) id PAA16681 for chemistry@www.ccl.net; Fri, 22 Aug 1997 15:14:07 +0200 (METDST) From: Marek Skowronek Message-Id: <199708221314.PAA16681@kinga.cyf-kr.edu.pl> Subject: Micelles & MD To: chemistry@www.ccl.net Date: Fri, 22 Aug 1997 15:14:06 +0200 (METDST) X-Mailer: ELM [version 2.4ME+ PL32 (25)] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Dear Netters, I should be very grateful for some information about articels connected with simulations of micelle structures. Thank you in advance Marek Skowronek From d.turner@sheffield.ac.uk Fri Aug 22 10:19:16 1997 Received: from pp2.shef.ac.uk for d.turner@sheffield.ac.uk by www.ccl.net (8.8.3/950822.1) id JAA08904; Fri, 22 Aug 1997 09:57:17 -0400 (EDT) Received: from ramsley.shef.ac.uk [143.167.103.254] by pp2.shef.ac.uk with esmtp (Exim 1.62 #12) id 0x1uDD-0000lm-00; Fri, 22 Aug 1997 14:57:15 +0100 Received: from RAMSLEY/MAILQUEUE by ramsley.shef.ac.uk (Mercury 1.21); 22 Aug 97 14:57:21 +0100 Received: from MAILQUEUE by RAMSLEY (Mercury 1.30); 22 Aug 97 14:57:09 +0100 From: "David B.Turner" To: chemistry@www.ccl.net Date: Fri, 22 Aug 1997 14:57:09 +0100 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: QSAR / QSPR /QSOR Datasets Priority: normal X-mailer: Pegasus Mail for Windows (v2.42a) Message-ID: <693B6A02E49@ramsley.shef.ac.uk> Hello I am looking for QSAR datasets for which either or both classical QSAR / 3D-QSAR (eg CoMFA) do not provide good correlations with biological activity (QSAR) or a property (QSPR). The purpose of this is to test the effectiveness of an ALIGNMENT-FREE QSAR method known as EVA. EVA is based upon fundamental IR-range frequencies and has proved to be an extremely effective means of developing models that are both internally and externally predictive. So far I have had NO failures with EVA when applied to 14 or so randomly selected CoMFA datasets. I am also looking for QSAR-size datasets with odour/smell related data (QSOR), again particularly where other descriptors/methods have failed to provide adequate models. There has been some publicity recently regarding a theory put forward by Luca Turin - "A spectroscopic mechanism for primary olfactory reception." EVA seems ideally suited to testing this theory. Thanks David Turner Dr David B. Turner Dept. of Information Studies University of Sheffield, Sheffield S10 2TN UK Tel.: 0114 2222 679 Fax.: 0114 2780 300 E-mail: D.Turner@sheffield.ac.uk From bioinfo.ernet.in!sangeeta@bioinfo.ernet.in Fri Aug 22 16:19:20 1997 Received: from sangam.ncst.ernet.in for bioinfo.ernet.in!sangeeta@bioinfo.ernet.in by www.ccl.net (8.8.3/950822.1) id PAA10450; Fri, 22 Aug 1997 15:49:38 -0400 (EDT) Received: from iucaa (iucaa.ernet.in [144.16.31.4]) by sangam.ncst.ernet.in (8.7.5) with SMTP id MAA07493 for ; Fri, 22 Aug 1997 12:51:37 +0530 (GMT+05:30) Received: from iucaa.iucaa.ernet.in by iucaa (5.65v3.2/SMI-4.1) id AA23710; Fri, 22 Aug 1997 12:39:54 +0500 Received: by (5.x/SMI-SVR4) id AA04955; Fri, 22 Aug 1997 12:37:37 -0500 Date: Fri, 22 Aug 1997 22:37:36 +0500 (GMT-5) From: Sangeeta Sawant To: Computational Chemistry List Subject: Seeking references on acid-base catalysis by enzymes Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi everybody, I would appreciate any help in getting some references or review articles on the mechanism of acid-base catalysis brought about by various enzymes. I shall post the summary of responses for those interested in the same. Thank you very mych for your time and attention. Sangeeta +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + Mrs. Sangeeta Sawant + + Research Fellow email : sangeeta@bioinfo.ernet.in + + Bioinformatics Centre phone : +91-212-355039 + + University of Pune fax : +91-212-350087 + + Ganeshkhind + + Pune - 411007 + + India. + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++