Logical Simulation of Biomolecular Information Pathways
In addition to the catalogs and sequences of all genes and gene products being produced by genome projects, their functioning in a cell or in an individual organism is also being uncovered at an increasing rate owing to the advancement of molecular biology technologies. Once such functional data are properly computerized, it will become feasible to assist experiments, facilitate understanding, and even perform simulation, of information pathways controlling all aspects of living organisms. Here we present our efforts to organize functional data in such higher biological processes as the metabolic pathway and the cell cycle, and our attempts to perform logical simulations of these processes.
Dr. Kanehisa is the head of the Japanese Genome Informatics Research Project 1991-95 and the next Informatics Project 1996-2000. He received his D.Sci. from University of Tokyo in 1976, and did research on computational and theoretical molecular biology at Johns Hopkins University School of Medicine 1976-79, Los Alamos National Laboratory 1979-82, National Cancer Institute, NIH, 1982-85, Kyoto University 1985-present, and University of Tokyo 1991-95.
CEX and the Single Chemist
CEX (Chemical EXchange) is an interface designed for chemical information exchange and interoperability in today's distributed environment. CEX provides a complete, working and extensible chemical information interface as commercial-quality, public domain software to which vendors can easily and freely port. CEX is an object-oriented mechanism for exchanging information in a semantically well-defined and program-independent manner which is particularly well suited for chemical information. CEX was developed by an alliance of chemical information software consumers, mainly large pharmaceutical companies with the assistance of software vendors, and is hardware operating system and vendor independent. CEX will be distributed and supported on Unix, Mac and PC/Windows platforms via a public FTP site (to be announced at PSB).
Dr. David Weininger is President of DAYLIGHT Chemical Information Systems, Inc. which produces tools used for doing chemistry as an information science including chemical databases, high-performance search engines, languages and an object-oriented chemistry toolkit. Dr. Weininger was trained at the Univerity of Rochester in Fine Arts, the University of Bristol in Chemistry and the University of Wisconsin in Water Chemistry. His research experience includes 4 years at the USEPA's National Water Quality Laboratory, Duluth, MN, 5 years at Pomona College, Claremont, CA, banjo player and a flight instructor. He currently heads DAYLIGHT's research office in Santa Fe, New Mexico.
The full call for papers is available, or email the session chairs firstname.lastname@example.org, email@example.com
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The full call for papers is available, or email the session chairs at firstname.lastname@example.org
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This minitrack will highlight the development and application of computational tools for the discovery of inhibitors of clinically relevant proteases within and across enzyme classes. Scientists who have made significant contributions to research on ligand-protease docking, dynamics simulations of ligand binding, the effects of entropy, solvation or long-range electrostatics on binding, prediction of binding modes and affinities, de novo design or related areas are encouraged to submit abstracts or full papers. Preference will be given to laboratories with experience in more than one class of protease target, since a major aim of the track is to compare and contrast strategies and structural features across classes.
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We are also pursuing ideas for a biocomputing education web resource. Briefly, we would like to have everybody that has expressed any interest in participating in the Education Workshop create web page(s) covering their course offerings.
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