From chipot@host7.lctn.u-nancy.fr Sun Jul 13 14:06:53 1997 Received: from host7.lctn.u-nancy.fr for chipot@host7.lctn.u-nancy.fr by www.ccl.net (8.8.3/950822.1) id NAA16898; Sun, 13 Jul 1997 13:21:04 -0400 (EDT) From: Received: (from chipot@localhost) by host7.lctn.u-nancy.fr (AIX4.2/UCB 8.7/8.7) id TAA21614 for chemistry@www.ccl.net; Sun, 13 Jul 1997 19:17:06 +0200 (DFT) Message-Id: <199707131717.TAA21614@host7.lctn.u-nancy.fr> Subject: Chambery Meeting - April 1998 To: chemistry@www.ccl.net Date: Sun, 13 Jul 1997 19:17:05 +0200 (DFT) X-Mailer: ELM [version 2.4 PL23] Content-Type: text Division de Chimie Physique Societe Francaise de Chimie CHAMBERY, 20 to 24 April 1998 COMPUTATIONAL CHEMISTRY AND THE LIVING WORLD: FROM SEQUENCE TO FUNCTION A European meeting of the Division de Chimie Physique Chambery, French Alps, 20 to 24 April 1998 organized jointly with: BUNSEN-GESELLSCHAFT fuer Physicalische-Chemie DIVISIONE DI CHIMICA FISICA (SCI) FARADAY DIVISION (RSC) SOCIETE FRANCAISE DE BIOPHYSIQUE FIRST CIRCULAR _______________________________________________________________________ COMPUTATIONAL CHEMISTRY AND THE LIVING WORLD: FROM SEQUENCE TO FUNCTION The results of the genome projects are expected to lead to a scientific revolution in the beginning of the next century. The exploitation of the genetic information will require an understanding of the relation- ships between sequence, structure and function. Both theory and expe- riment are expected to play major roles in obtaining this understanding The meeting at Chambery will focus on the role of computational chemis- try in the activity sparked by the genome results. How can numerical calculation help us to understand and exploit genome sequences ? How can modelling and simulation help in understanding how amino-acid se- quences are translated into three-dimensional biological structures, the functional interactions of these structures and the effect of en- gineered modifications ? Practical and pharmaceutical applications will also be adressed. A famous example of `rational' structure based drug design is the very recent development of HIV protease inhibitors for the treatment of AIDS. MAIN TOPICS __________________________________ The meeting will be organized into three themes: 1 - Sequence analysis: the impact of genome sequencing projects will be assessed, genome organization discussed and the access and direct exploitation of sequence data reviewed. Evolutionary analysis of sequences will be examined, together with the classification of se- quences in terms of structure. 2 - Biomolecular structure and folding: experimental techniques capable of probing macromolecular structure will be discussed in relation to theoretical/computational techniques predicting protein structu- res from sequence. Our undersatnding of the principles of protein folding will be examined: the factors determining their thermodyna- mic stability and kinetic folding pathways. Modelling of protein structure by homology and with energy functions, the `inverse fol- ding' problems and techniques for global energy optimization will be discussed. Nucleic acid sequence-structure relationships will be examined. 3 - Functional interactions of biomolecules: calculation of binding mo- des and reaction mechanisms will be explored together with methods of calculating free energy changes associated with biological pro- cesses. The modelling and simulation of ordered biomolecular sys- tems will be reviewed. Dynamic processes in biological function will be examined from picosecond events to slower domain motions and allosteric phenomena. ORGANIZATION __________________________________ The meeting will be over five days and will consist of 45 minutes and 15 minutes lectures, poster sessions and informal discussion. Research into the chemistry and biological macromolecules requires close coope- ration between theorists and experimentalists, and scientists of both fields are welcome. The aim of the meeting is to emphasize the broad complementarity between theory and experiment in the lectures rather than specialized discussion of theoretical methodology. Industrial re- searchers working on these problems will also be invited to speak. The meeting is expected to be of interest to researchers in all bran- ches of computational chemistry, as well as structural and molecular biologists and biochemists. The meeting will be held in Chambery in the Savoie region of the French Alps. The proceedings will be published. INVITED LECTURES __________________________________ The following scientists have already accepted to give invited lectures - Prof. David Chandled (University of California, Berkeley) - Dr. Cyrus Chothia (Cambridge University) - Prof. Chris Dobson (Oxford University) - Prof. Manfred Sippl (Graz) - Prof. Wilfred van Gunsteren (ETH, Zuerich) - Prof. Harel Weinstein (Mnt. Sinai, New York) - Prof. Eric Westhoff (Strasbourg) - Prof. Michael Hecht (Princeton University) - Prof. Eugene Shakhnovitch (Harvard University) - Prof. Klaus Schulten (University of Illinois) CONTRIBUTIONS __________________________________ Title + 200-350 words abstract (typed on a single page) Deadline 31 October 1997 to be submitted to: Division de Chimie Physique / SFC Computational Chemistry and the Living World Laboratoire de Chmie Physique 11, rue P. et M. Curie 75005 Paris INTERNATIONAL SCIENTIFIC COMMITTEE __________________________________ Dr. J.C. Smith (CEA Saclay) - Chairman, Dr. R. Botter (DCP Paris) - Se- cretary, Prof. J. Brickmann (TH Darmstadt), Dr. C. Chipot (U. Nancy), Prof. J.E. Dubois (U. Paris VII), Dr. J. Garnier (INRA Jouy, NIH Beth- seda), Prof. M. Karplus (U. Strasbourg, Harvard U.), Dr. R. Lavery (IBPC Paris), Prof. B. Maigret (U. Nancy), Prof. G. Richards (Oxford U.), Dr. E. Soulie (CEA Saclay), Prof. J. Tomasi (U. Pisa), Dr. C. Tro- yanowsky (DCP Paris). INFORMATION __________________________________ From R. Botter, at above address Phone: 01-44-27-62-70 Fax : 01-44-27-62-23 ............................................................... >8 .... Division de Chimie Physique Societe Francaise de Chimie COMPUTATIONAL CHEMISTRY AND THE LIVING WORLD: FROM SEQUENCE TO FUNCTION A European meeting of the Division de Chimie Physique Chambery, French Alps, 20 to 24 April 1998 jointly organized with DBG, DCF/SCI, FD/RSC, SFB PREREGISTRATION __________________________________ NAME, First name (Prof, Dr, Mrs, Ms, Miss, Mr)......................... LABORATORY or COMPANY............................................................. MAILING ADDRESS........................................................ ....................................................................... Telephone.......................... Fax................................ - Wishes to receive the second circular................................ - Submits poster contribution(s)....................................... - Wishes poster contribution to be considered for oral presentation..................................... Pre-registration form to be received by 31.8.1997 at the following address: Division de Chimie Physique / SFC Computational Chemistry and the Living World Laboratoire de Chmie Physique 11, rue P. et M. Curie 75005 Paris Phone: 01-44-27-62-70 Fax : 01-44-27-62-23 ............................................................... >8 ....