From owner-molreps@hgmp.mrc.ac.uk Thu Feb 3 15:32:12 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 0CC9817ABE; Thu, 3 Feb 2000 15:32:11 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id ADDD217AA0; Thu, 3 Feb 2000 15:32:10 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Ferenc Csizmadia Subject: Marvin 2.2 released Date: 1 Feb 2000 17:13:42 -0000 Organization: MRC Human Genome Mapping Project Resource Centre Message-ID: <388ED023.4F42862E@chemaxon.com> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk Please excuse multiple postings. Version 2.2 of the Marvin Applets and Beans for drawing and displaying chemical structures has been released and can be downloaded at http://www.chemaxon.com/marvin. Free for free internet sites and scientific/technical publications in HTML format. Marvin contains: - Marvin Applets. Entering and viewing structures in web browsers. - NEW: Marvin Beans. Java beans for chemical software development. Now MarvinSketch and MarvinView can be inserted into forms visually. - NEW: MarvinSketch application. Structure drawing program created using the MarvinSketch bean. NEW FEATURES, CHANGES: - Keyboard shortcuts: all elements, 8 bond types, templates, erase mode, undo, redo, etc. - Pop-up menus at right-clicks - Recent structures: speeding up the creation of similar molecules. - New query bond and atom types - Fixes - etc. ALSO AVAILABLE JChem is our new Java based system for searching and handling chemical structures in relational databases (http://www.jchem.com). Regards, Ferenc -- Dr. Ferenc Csizmadia Managing Director ChemAxon Ltd. Valyog u. 7, H-1032 Budapest, Hungary http://www.chemaxon.com T: +3620 9570988 mailto:fcsiz@chemaxon.com --- From owner-molreps@hgmp.mrc.ac.uk Thu Feb 3 15:35:15 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 1BDB817A94; Thu, 3 Feb 2000 15:35:15 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id B79BD17A93; Thu, 3 Feb 2000 15:35:13 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Jin Li Subject: Molecular Docking and Virtual Screening Date: 1 Feb 2000 17:56:16 -0000 Organization: MRC Human Genome Mapping Project Resource Centre Message-ID: <38907EE4.B76621AF@protherics.com> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk ***If you have seen this from other lists, I apologise for multiple postings. *** Dear All, Protherics Molecular Design Ltd and SGI announced the completion of a collaborative project, called DockCrunch, which involved docking of over 1,000,000 molecules against two protein structures. For further details, please visit the following URLs: (1) Press release http://www.protherics.com/new/PRO240100.htm (or alternatively from Protherics' homepage then Investors->Press Releases) (2) Technical details of DockCrunch project http://www.protherics.com/crunch/ --- From owner-molreps@hgmp.mrc.ac.uk Fri Feb 4 11:32:02 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 39B3C17B06; Fri, 4 Feb 2000 11:32:02 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 00ED917B0A; Fri, 4 Feb 2000 11:31:59 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Steve Heller Subject: ChemInt2000 - Web Abstract Submission Form Now Operational Date: 3 Feb 2000 15:56:02 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk This note is to announce that web Abstract Submission form is now operational for the Chemistry and the Internet (ChemInt2000) meeting being held in at Georgetown University in Washington DC on September 23-26, 2000. The draft program of invited speakers, workshops, markup langauge tutorial, and panel sessions is available on the meeting web site: http://www.chemint.org You are urged to look at the program and to consider submitting a poster paper to the meeting. Some 8-10 of poster papers will be selected for oral presentation at the meeting. The main lecturers for the meeting will be: Rene DePlanque, FIZ - Berlin Jim Myers, Pacific Northwest Labs Glen Hopkinson, Synopsys Scientific Systems Wolf-Dietrich Ihlenfeldt, University of Erlangen-Nurenberg Jim Ostell, NIH/NLM/NCBI Engelbert Zass, ETH Henry Rzepa, Imperial College, London Peter Murray-Rust, Nottingham University The (current) corporate sponsors for the meeting are: SciVision Internet Journal of Chemistry Technical Sponsors are: ACS CINF Division ACS COMP Division The Chemical Structure Association (CSA) Georgetown University - Department of Chemistry Special Libraries Association (SLA) Chemistry Division Royal Society of Chemistry (RSC) Steve Heller Steve Heller, Guest Researcher NIST/SRD, Mail Stop: 820/113 820 Diamond Avenue, Room 101 Gaithersburg, MD 20899-2310 USA E-mail: chem@feldmann.nist.gov --- From owner-molreps@hgmp.mrc.ac.uk Fri Feb 11 09:13:48 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id E1D4917A9A; Fri, 11 Feb 2000 09:13:47 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 85FD417A6F; Fri, 11 Feb 2000 09:13:46 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Ferenc Csizmadia Subject: JChem / chemical database building tool Date: 10 Feb 2000 19:27:33 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: <38A2D5AA.1A1821D2@chemaxon.com> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk Please excuse multiple postings. ChemAxon is proud to announce the release of JChem 1.0.5. JChem is for creating custom chemical applications. Features: - Substructure, similarity and exact structure searching - Structure and SQL searching can be combined - Structure tables stored in relational databases - Supports the development of web, local-network or stand-alone systems. - 100% Java - User friendly interface - Portable (user selected OS, database engine, web server, web browser...) A web application developed using JChem typically consists: - Marvin Java applets / beans (drawing and displaying structures in web browsers) - JChem Class Library (structure search, retrieval and update, ...) - JChemManager (structure table creation, SDF export/import, ...) - custom HTML pages and Java servlets and/or Java Server Pages For more details, examples please follow these links: http://www.chemaxon.com/products.html http://www.jchem.com If you have - questions - ideas for development - special requirements please contact us. We are looking for distributors of JChem. Regards, Ferenc -- Dr. Ferenc Csizmadia Managing Director ChemAxon Ltd. Valyog u. 7, H-1032 Budapest, Hungary http://www.chemaxon.com T:+3620 9570988 Fax: +361 3875944 mailto:fcsiz@chemaxon.com --- From owner-molreps@hgmp.mrc.ac.uk Wed Feb 16 20:03:45 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 48E8417BD0; Wed, 16 Feb 2000 20:03:45 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 9E6FC17A68; Wed, 16 Feb 2000 20:03:42 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Stefan Unger Subject: Job Opportunities in Drug Discovery Technologies at Frost & Sullivan Market Date: 16 Feb 2000 19:44:00 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk We have formed a Drug Discovery Technologies group at Frost & Sullivan and have openings for market research analysts (entry) and industry analysts (advanced) in this field. We cover combinatorial chemistry, HTS, informatics, all molecular biology and genetics technologies, miniturization, etc. In addition, we have occasional need for independent consultants to work on all or part of projects. F&S is a worldwide organization with offices in California, Texas, New York, as well as Europe and Asia. Please send your resume by email if you are interested. Please do NOT "reply" to this email! Instead, email your response to: sunger@frost.com Thank you. *&*&*&*&*&*&*&*&*&*&*&*& Stefan Unger, PhD 2250 Webster St Palo Alto, CA 94301 ph: 650-321-7319 fax: 650-231-6081 email: mailto:sunger@a.crl.com work: mailto:sunger@frost.com &*&*&*&*&*&*&*&*&*&*&*&* --- From owner-molreps@hgmp.mrc.ac.uk Wed Feb 16 20:06:21 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id A281017BD2; Wed, 16 Feb 2000 20:06:20 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 52AFC17BD0; Wed, 16 Feb 2000 20:06:19 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: "R. S. Pearlman" Subject: 4th Lake Tahoe Center Molecular Diversity Symposium - Mar 21-25, 2000 Date: 16 Feb 2000 19:45:49 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: <000216124708.382d@VAX.PHR.UTEXAS.EDU> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk Hello everyone -- I've been asked to forward the following meeting announcement. First, I'd like to add a bit more information: 1. The Lake Tahoe Center is a *non-profit* corporation whose mission is to facilitate communication amongst scientists in the diverse disciplines loosely linked through the concept of chemical diversity. 2. The meeting is held at a particularly beautiful location and is conducted in a "Gordon Research Conference" format with lectures in the morning and evening, leaving afternoons free for discussion and/or recreation. I hope to see you there! -- Bob Pearlman > The organizers are pleased to announce the upcoming 4th Lake Tahoe > Symposium on MOLECULAR DIVERSITY, to be held March 21 - 25, 2000. > We hope that you make plans to attend our exciting program this year. > > You can view the latest program updates and register online by visiting > the Lake Tahoe Symposia web site: http://www.laketahoesymposia.org. > > Please forward this notice to colleagues who might also be interested > in our program - thank you! > > > Lake Tahoe Symposia > Lake Tahoe Center > 604 South Saltair Avenue > Los Angeles CA 90049-4135 > > Ph: 310 825-9329 (310 476-1147) > Fax: 310 206-1703 (310 476-7741) > Em: admin@laketahoesymposia.org > URL: http://www.laketahoesymposia.org --- From owner-molreps@hgmp.mrc.ac.uk Fri Feb 18 09:41:46 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 1EEA617B30; Fri, 18 Feb 2000 09:41:44 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id AB39E17B10; Fri, 18 Feb 2000 09:41:43 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: "Dr. Wendy A. Warr" Subject: Re: 4th Lake Tahoe Center Molecular Diversity Symposium - Mar 21-25, 2000 Date: 18 Feb 2000 09:09:23 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: <38AB00D9.7EBA@warr.com> References: <000216124708.382d@VAX.PHR.UTEXAS.EDU> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk R. S. Pearlman wrote: > > Hello everyone -- > > I've been asked to forward the following meeting announcement. > > First, I'd like to add a bit more information: > 1. The Lake Tahoe Center is a *non-profit* corporation whose mission > is to facilitate communication amongst scientists in the diverse > disciplines loosely linked through the concept of chemical diversity. > 2. The meeting is held at a particularly beautiful location and is > conducted in a "Gordon Research Conference" format with lectures > in the morning and evening, leaving afternoons free for discussion > and/or recreation. > > I hope to see you there! > > -- Bob Pearlman > I second Bob's comments - excellent conference and good location. It is just before ACS San Francisco which might be a good thing or a bad thing depending on how you plan your travel. It is a real shame that the technical program has appeared on the Web so late. But this meeting is "worth a detour" as they say in the Michelin Guides. Wendy -- Dr Wendy A Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy@warr.com http://www.warr.com --- From owner-molreps@hgmp.mrc.ac.uk Fri Feb 18 12:21:30 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 1F5D617A78; Fri, 18 Feb 2000 12:21:30 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 5F5B017A5E; Fri, 18 Feb 2000 12:21:28 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: personnel@qub.ac.uk (QUB Personnel Office) Subject: Research Technician Post Queen's University Belfast Date: 18 Feb 2000 12:05:29 -0000 Organization: Queen's University Belfast Message-ID: <38AD3529.10604276@qub.ac.uk> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk The Queen's University of Belfast Research Technician (Ref: 00/C129C) School of Biology and Biochemistry Required to assist with the operation and development of the protein and peptide synthesis and analysis facilities within the Centre of Peptide and Protein Engineering. Applicants must have an HND/HNC or equivalent qualification in a relevant subject and broad experience in molecular biology/biochemistry. Experience in the following is desirable: peptide synthesis, protein purification and/or organic chemistry as is experience in more than one laboratory where special relevant skills have been acquired. Salary: £13,317 - £13,717 per annum. Closing date: 5.00 pm, 3 March 2000. Applicants, quoting the reference number 00/C129C, may obtain an application form and further particulars from the Personnel Office, The Queen's University of Belfast, BT7 1NN, (01232) 273246/273044 or (01232) 273854 (answering machine) or FAX (01232) 324944. Committed to an Equal Opportunities policy and selection on merit, the University welcomes applications from all sections of the community. --- From owner-molreps@hgmp.mrc.ac.uk Mon Feb 21 15:19:12 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 630DD17A96; Mon, 21 Feb 2000 15:19:11 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 5E33A17A68; Mon, 21 Feb 2000 15:19:09 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Peter Butler Subject: Molecular Diversity, Table of Contents Vol. 4, Issue 3 Date: 21 Feb 2000 15:10:05 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk Molecular Diversity www.wkap.nl/journals/molecular_diversity www.5z.com/moldiv/ Table of Contents Vol. 4, Issue 3, 1998 Comparative study of reductive amination reaction on 5-(4-formyl-3,5-dimethoxyphenoxy)valeric acid and its monomethoxy analog using the Multipin- approach Chinh T. Bui, Andrew M. Bray, Yen Pham, Rhonda Campbell, Francesca Ercole, Firas A. Rasoul, N. Joe Maeji KEYWORD(S): linkers, N-alkylamides, reductive amination, solid-phase synthesis. PAGE(S): 155-163 Solid phase synthesis of hydantoins by thermal cyclization and screening of reaction conditions using APOS 1200 Wilhelm Karnbrock, Martin Deeg, Jurgen Gerhardt, Wolfgang Rapp KEYWORD(S): APOS 1200, combinatorial chemistry, FT-ATR-IRspectroscopy, hydantoin, solid-phase synthesis, TentaGel, thermal cyclization. PAGE(S): 165-171 Use of combinatorial library screening to identify inhibitors of a bacterial two-component signal transduction kinase Siddhartha Roychoudhury, Sylvie E. Blondelle, Susan M. Collins, Michael C. Davis, Helana D. McKeever, Richard A. Houghten, Christian N. Parker KEYWORD(S): antibacterial compounds, bacterial signal transduction, CheA, combinatorial chemistry, deconvolution, enzyme inhibition, histidine protein kinase, synthetic peptides. PAGE(S): 173-182 Parallel solution synthesis of pyridinethiones, pyridinones and thienopyridines Stephen J. Shuttleworth, Miguel Quimpere, Nola Lee, Jeancarlo DeLuca KEYWORD(S): library-from-library, parallel synthesis, 'privilegedtemplates`. PAGE(S): 183-185 Y-ligation: An efficient method for ligating single-stranded DNAs and RNAs with T4 RNA ligase Koichi Nishigaki, Katsuya Taguchi, Yasunori Kinoshita, Takuyo Aita, Yuzuru Husimi KEYWORD(S): block shuffling, combinatorial chemistry, end-to-end distance, evolutionary molecular engineering, T4 RNA ligase, Y-ligation. PAGE(S): 187-190 Synthesis of peptidomimetics using a polymer-bound Boc-linker Thomas Redemann, Holger Bandel, Gunther Jung KEYWORD(S): a-hydroxy-b-amino-aldehyde, amino acid homologation, Boc-resin, 2-hydroxy-1,3-diamines , g-hydroxy-vinylsulfone, peptidomimetics. PAGE(S): 191-197 Comparative conformational analysis of peptide libraries Saul G. Jacchieri KEYWORD(S): comparative conformational analysis, peptide libraries, probabilities of occurrence of structural motifs, sequence and conformational spaces. PAGE(S): 199-207 ---------------------- Peter Butler Publishing Editor Biomedical Unit Kluwer Academic Publishers tel: +31-78-639-2312 fax: +31-78-639-2377 E-mail: peter.butler@wkap.nl http://www.wkap.nl --- From owner-molreps@hgmp.mrc.ac.uk Mon Feb 21 15:25:22 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id B659817B14; Mon, 21 Feb 2000 15:25:20 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 1) id 0412917A96; Mon, 21 Feb 2000 15:25:17 +0000 (GMT) To: molreps@net.bio.net Newsgroups: bionet.molecules.repertoires From: Shu-Kun Lin Subject: Invitation from new Editor-in-Chief of MOLECULES Date: 21 Feb 2000 15:11:45 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Message-ID: <38AF0D95.AC203919@mdpi.org> Sender: owner-molreps@hgmp.mrc.ac.uk Precedence: bulk Dear colleague: I would like to invite you to contribute a review or research paper for consideration and publication in MOLECULES (ISSN 1420-3049) at the http://www.mdpi.org/molecules/ website. Because it is a free online journal, papers published in MOLECULES receive very high publicity. Authors who have published in MOLECULES have informed us that they receive many more reprint requests than for other papers. It has been indexed and abstracted by several leading indexing and abstracting services, including Chemical Abstracts; CAPLUS; Science Citation Index Expanded; SciSearch, Research Alert; Chemistry Citation Index; Current Contents/Physical, Chemical & Earth Sciences. Please send your manuscripts to Dr. Derek J. McPhee, the Assistant Editor of MOLECULES, by e-mail: mcphee@mdpi.org. Thank you in advance for your kind support. Looking forward to hearing from you soon. Sincerely, Reinhard Neier Prof. Dr. Reinhard Neier Editor-in-Chief of MOLECULES (http://www.mdpi.org/molecules/) Institut de Chimie, University of Neuchatel Av. Bellevaux 51, CH-2000 Neuchatel, Switzerland, Phone: +41 32 718 2428, FAX: +41 32 718 2511, E-mail Reinhard.Neier@ich.unine.ch ---