From owner-structural-nmr@net.bio.net Mon Apr 05 23:00:00 1999 Path: biosci!biosci!not-for-mail From: Rich Handy Newsgroups: bionet.structural-nmr Subject: NMR Meeting Date: 6 Apr 1999 15:39:51 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 141 Sender: daemon@net.bio.net Approved: raman@bragg.bio.uci.edu Distribution: world Message-ID: <4.1.19990405073722.009c6b50@207.60.238.1> NNTP-Posting-Host: net.bio.net --=====================_1818125==_.ALT Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable FIRST ANNOUNCEMENT AND CALL FOR PAPERS Cambridge Healthtech Institute's Second International =85=85=85..=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85= =85=85=85=85=85=85=85=85 NMR Technologies: Development and Applications for Drug Discovery November 4-5, 1999 Sheraton Inner Harbor Hotel, Baltimore, MD=20 Major advances in NMR technologies continue to enable dynamic, molecular structure (SAR) studies leading to a greater understanding of some of the mechanisms of various diseases as well as targeted therapeutic drug design= and discovery programs. New biomedical and materials sciences are fueling the development of high-field NMR spectroscopy as a more accessible tool for researchers. Researchers are continuing to develop new ways to share their= NMR resources more efficiently and creatively, primarily over the Internet.= Driving the interest in faster access to SAR analyses is genome research. Major emphasis will be placed on the application of NMR to drug discovery= processes this year, including case studies and other examples from large pharma and biotech organizations. Researchers involved in solid-state and solution NMR spectroscopy, structural biology, materials and polymer sciences, and= genomic sciences, amongst others, are encouraged to submit a title and brief summary describing their work for consideration of presentation. Also, we would most appreciate your suggestions of colleagues or other people you would like to hear, who might be suitable/interested in speaking and what types of research/approaches they are currently involved in. =20 SESSION TOPICS PROPOSED (Amongst Others): =95 Applications of NMR to the Drug Discovery Process (ie. Candidate= Selection and Lead Optimization) =95Sharing NMR Resources Via the Internet =95 Gene (Function) and SAR =95LC-NMR Applications (Flow and Stop-Flow: Shockor 19F)= =95 Macroscopic Ordering =95Application of Cryoprobes to Biological NMR =95Side= Chain Dynamics =95 NMR Probe/Magnet Developments =95Post Acquisition Data= Processing =95 NMR and Mass Spec Combinations (for Automation and Rapid= Throughput/Screening, Impurities, Degradation Products, Natural Products and Low Level Sampling Techniques etc.) =95Liquid-Solid NMR Deadline for Submission is April 23rd, 1998. Please submit abstract by fax or e-mail to: Carol A. Ghatak, Conference Director Phone: 617-630-1348 Fax: 617-630-1325 or e-mail: cghatak@healthtech.com Cambridge Healthtech Institute 1037 Chestnut Street Newton Upper Falls, MA 02464 USA Phone: 617-630-1356 Fax: 617-630-1325 e-mail: rhandy@healthtech.com http://www.healthtech.com/conferences/=20 --=====================_1818125==_.ALT Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
FIRST ANNOUNCEMENT AND CALL FOR PAPERS

 Cambridge Healthtech Institute's Second International
=85=85=85..=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85=85= =85=85=85=85=85=85=85=85

NMR Technologies: Development and Applications for Drug Discovery
November 4-5, 1999  Sheraton Inner Harbor Hotel, Baltimore, MD

Major advances in NMR technologies continue to enable dynamic, molecular structure (SAR) studies leading to a greater understanding of some of the mechanisms of various diseases as well as targeted therapeutic drug design and discovery programs. New biomedical and materials sciences are fueling the development of high-field NMR spectroscopy as a more accessible tool for researchers. Researchers are continuing to develop new ways to share their NMR resources more efficiently and creatively, primarily over the Internet. Driving the interest in faster access to SAR analyses is genome research. Major emphasis will be placed on the application of NMR to drug discovery processes this year, including case studies and other examples from large pharma and biotech organizations.  Researchers involved in solid-state and solution NMR spectroscopy, structural biology, materials and polymer sciences, and genomic sciences, amongst others, are encouraged to submit a title and brief summary describing their work for consideration of presentation. Also, we would most appreciate your suggestions of colleagues or other people you would like to hear, who might be suitable/interested in speaking and what types of research/approaches they are currently involved in. 

SESSION TOPICS PROPOSED (Amongst Others):

=95 Applications of NMR to the Drug Discovery Process (ie. Candidate Selection and Lead Optimization) =95Sharing NMR Resources Via the Internet =95 Gene (Function) and SAR =95LC-NMR Applications (Flow and Stop-Flow: Shockor 19F) =95 Macroscopic Ordering =95Application of Cryoprobes to Biological NMR =95Side Chain Dynamics =95 NMR Probe/Magnet Developments =95P= ost Acquisition Data Processing =95 NMR and Mass Spec Combinations (for Automation and Rapid Throughput/Screening, Impurities, Degradation Products,  Natural Products and Low Level Sampling Techniques etc.) =95Liquid-Solid NMR

Deadline for Submission is April 23rd, 1998.

Please submit abstract by fax or e-mail to: Carol A. Ghatak, Conference Director
Phone: 617-630-1348  Fax: 617-630-1325 or e-mail: cghatak@healthtech.com

Cambridge Healthtech Institute
1037 Chestnut Street
Newton Upper Falls,  MA  02464
USA

Phone: 617-630-1356
Fax: 617-630-1325
e-mail: rhandy@healthtech.com
http://www.healthtech.com/conferences/ From owner-structural-nmr@net.bio.net Tue Apr 06 23:00:00 1999 Path: biosci!biosci!not-for-mail From: Geoff Barton Newsgroups: bionet.structural-nmr Subject: ANNOUNCEMENT: EBI-Macromolecular Structure Database Date: 7 Apr 1999 06:52:47 -0700 Organization: EMBL-EBI Lines: 177 Sender: daemon@net.bio.net Approved: raman@bragg.bio.uci.edu Distribution: world Message-ID: <370B45C0.643B588D@ebi.ac.uk> NNTP-Posting-Host: net.bio.net 30/3/1999: ANNOUNCEMENT FROM THE: MACROMOLECULAR STRUCTURE DATABASE (EBI-MSD) EUROPEAN MOLECULAR BIOLOGY LABORATORY OUTSTATION EUROPEAN BIOINFORMATICS INSTITUTE WELLCOME TRUST GENOME CAMPUS HINXTON, CAMBRIDGE, CB10 1SD, UK. http://msd.ebi.ac.uk mailto:msd@ebi.ac.uk SUMMARY The Research Collaboratory for Structural Bioinformatics (RCSB) recently announced that as a result of co-operation between Brookhaven National Laboratories (BNL) and RCSB staff, completion of the smooth transition of Protein Data Bank (PDB) activities in the USA from BNL to RCSB would be brought forward to 1 July 1999. The transition from BNL to RCSB coincides with the EBI-MSD assuming greater proportional responsibility for the management of the world archive of data on macromolecular structure. This process has been facilitated by EBI-MSD and RCSB forging a strong collaboration over recent months. EBI-MSD anticipate that this new collaboration will enable both groups to provide enhanced and comparable services for producers and consumers of data on macromolecular structure throughout the world, while ensuring the continued integrity and uniformity of the PDB archive. This announcement is primarily to explain how the PDB services currently provided in Europe by the EBI-MSD will be managed and improved through the transition. For background, a brief summary of EBI-MSD goals and activities is given at the end of this document. For further details, please see http://msd.ebi.ac.uk. Information regarding the RCSB and further transition information is available from http://www.rcsb.org. DETAILS OF CURRENT ACTION With completion of the transition from BNL to RCSB due at the end of June 1999,the EBI-MSD will continue to maintain the following services related to the PDB: 1. DEPOSITIONS via the BNL-AutoDep software at EBI (using http://autodep.ebi.ac.uk/ ) will continue until Autumn 1999 when AutoDep will be replaced by a new EBI-MSD deposition system. Further details of the move to the EBI-MSD deposition system will be announced in due course. The Brookhaven National Laboratory (http://www.pdb.bnl.gov:8080/) will stop running the AutoDep software for new submissions on May 31st 1999. The in-progress submissions at BNL will be accessible until mid-June when all details will be transferred to the RCSB. See the home page at all PDB mirror sites, e.g. at EBI http://www2.ebi.ac.uk/pdb for information. STARTING ON 1ST APRIL 1999 submissions at the EBI via AutoDep(http://autodep.ebi.ac.uk/) will have the IDCode assigned from the EBI within minutes of a completed submission, using the current PDB policies for mandatory items and validation. The submission data and files will be transferred to the RCSB for final processing. STARTING ON 1ST JUNE 1999 submissions to the EBI-PDB AutoDep, will be post-processed by EBI-MSD and all contact with depositors for review questions will be carried out by the EBI-MSD. The final PDB entry will then be passed to the RCSB for release to the FTP sites via the ftp.rcsb.org site. The RCSB ADIT deposition tool currently in beta test will be available as an option at EBI. Support for ADIT submissions at EBI will be provided by RCSB. 2. FTP access at the EBI (using ftp ftp.ebi.ac.uk ) The EBI-MSD will maintain the current BNL-PDB FTP structure and continue to update this set of files by transferring the mirror to give an exact copy of what were the files at ftp.pdb.bnl.gov to an exact copy of the files held at bnlarchive.rcsb.org. The FTP structure developed by RCSB will evolve over time and at an appropriate point which will be announced, the EBI-MSD will switch to a copy of the files held at ftp.rcsb.org. 3. 3DB browser and the EBI services of the BNL-PDB web-server www.pdb.bnl.gov The current EBI copy of the service http://www.pdb.bnl.gov available as http://www2.ebi.ac.uk/pdb will be maintained within some limits. Some of the HTML pages will be replaced with RCSB HTML documents, however, the cgi-bin services including the PDB scripts "opdbids opdbshort pdbids pdbmain save-pdb" and the 3rd party scripts "pdblite STING csu lpc" will be maintained with locally produced index files. The future of the ability to search the pending and on-hold lists via the script "whsearch" will depend on details provided by RCSB. Each weekly release of new PDB entries requires a new set of files for the www2.ebi.ac.uk/pdb service, these are only required for the latest_release_date, the latest_entry_statistics, and the LoadedID.html created each week. The EBI will create these files independently of the RCSB/BNL-PDB. The only external reference file totally dependent on PDB processing required to make the new weekly indices will be the med_line reference file. The continuing status of this file medline.flat (from ftp ftp.ebi.ac.uk/pub/databases/pdb/pub/resources/xdb_links/) from the RCSB, is still being finalised. BACKGROUND TO EBI-MSD The EBI-MSD project was established at the end of 1996 with funding from the European Union and the UK Wellcome Trust to create an autonomous European Centre for the deposition, archive and distribution of information on macromolecular structures. We have worked in collaboration with the BNL-PDB to establish effective mirrors of the BNL-PDB site throughout the world and to create at EBI the AutoDep deposition centre for data on macromolecular structures. Since AutoDep started at EBI in January 1998, we have taken more than 650 depositions to the PDB and provided email support for depositors. In addition, we have also contributed to the identification of key Mandatory Items that should form part of every structural deposition, and to the development of Validation Protocols for macromolecular structures. In August of 1998 the US funding agencies announced that the award for PDB operations would transfer to the RCSB. A period of phased transition of activities from BNL to the RCSB was begun in October 1998 and will be completed in June, 1999. The MSD staff at EBI have been working closely with our counterparts at the RCSB since October on a number of issues regarding the present transition and the future of the world archive of data on macromolecular structure. Over the last 2.5 years, EBI-MSD project has performed a major clean-up of PDB data. This includes the representation of Quaternary Structures for macromolecules solved by X-ray crystallography, protein sequences and cross-references to the SWISS-PROT database, identification of 'To be published' references and the classification of over 60,000 free text remarks. This clean-up will be merged during 1999 with complimentary work done at RCSB so as to enhance the quality and usefulness of the PDB. Access to some of the clean-up data and further information is available from http://msd.ebi.ac.uk/. In order to manage deposition, storage and dissemination of data on macromolecular structure, the EBI-MSD project has been developing database systems and protocols for deposition and archive of the data. The new EBI deposition system which will be in beta test in late summer, exploits advances in industry- standard relational database technology. The EBI deposition system draws on the philosophy of the BNL-AutoDep but enhanced by modern database technology and application of our experience in supporting depositions with AutoDep over the last 15 months. FEEDBACK If you have questions arising from this announcement, please contact Geoff Barton, Head of EBI-MSD Project (geoff@ebi.ac.uk). END OF ANNOUNCEMENT ------------------ Dr Geoff. Barton, EMBL-European Bioinformatics Institute, Genome Campus, Hinxton, Cambs CB10 1SD, U.K., mailto:geoff@ebi.ac.uk http://barton.ebi.ac.uk, Tel: +44 1223 494414, Fax: +44 1223 494496 From owner-structural-nmr@net.bio.net Sat Apr 10 23:00:00 1999 Path: biosci!biosci!not-for-mail From: yus@dragon.crs.uc.edu Newsgroups: bionet.structural-nmr Subject: pulse sequence Date: 11 Apr 1999 15:08:29 -0700 Organization: Deja News - The Leader in Internet Discussion Lines: 11 Sender: daemon@net.bio.net Approved: raman@bragg.bio.uci.edu Distribution: world Message-ID: <7er5u1$8g8$1@nnrp1.dejanews.com> NNTP-Posting-Host: net.bio.net Hi, Does anyone have a pulse sequence written in order to measure the two spin antiphase relaxation rate, R(HzCxy) for a 13C-1H bond vector on a Bruker DMX500? Thanks in advance. Please respond to email. Thanks. Yugal -----------== Posted via Deja News, The Discussion Network ==---------- http://www.dejanews.com/ Search, Read, Discuss, or Start Your Own