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23 May 2002 - 2 June 2002

23 May 2002 - 2 June 2002. 01 April 1983 X-ray crystallography and drug action. Course 9 Series 1. 11 June 1989 Three dimensional molecular structure and drug action. Course 15 Series 2. Course 24 Series 3. 19 May 1996

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23 May 2002 - 2 June 2002

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  1. 23 May 2002 - 2 June 2002

  2. 01 April 1983 X-ray crystallography and drug action Course 9 Series 1 11 June 1989 Three dimensional molecular structure and drug action Course 15 Series 2 Course 24 Series 3 19 May 1996 Experimental and computational approaches to structure based drug design 24 May 2002 From genes to drugs via crystallography Course 33 Series 4 International School of Crystallography series on drug design

  3. Function Sequence Structure Sequence Genomic data Function Structure

  4. Function Sequence Structure Sequence Genomic data Function Structure

  5. Completed sequences of genomes (>60) find all folds structural biology functional genomics protein evolution Target identification Modelling Selectivity Fundamental understanding of biology Treatment Screening Diagnosis

  6. CRYSTALLISATION Screening Kits Robotics Improved Plate designs Mini incubators Data tracking Software Imaging Liquid handling : nL Automation base CLONING & PURIFICATION • Limited proteolysis, MS • Recombinant DNA technology • Constructs operating in more than one system • Miniaturisation : • expression & purification MAD phasing Automatic map interpretation Software integration Data Collection Better sources New detectors Automation :quality Crystal freezing Structure solution

  7. StructureAnalyses • Form to function • Motifs • Alignments • Classification • Mechanisms

  8. Physics Bioinformatics Chemistry Mathematics Computational Science Statistics Molecular Biology Molecular Modelling Biochemistry Crystallography EM 3D Structure Genomics NMR Structural Biology Proteomics Pharmacology Synergy of several disciplines

  9. Genome Genes Sequence Predictive Techniques Empirical Methods Genomic data Function Structure Overview of the genetics-based drug design process Sequence Approaches Structure Function Achievements Powers Pitfalls Prospects Methods Tools Target identification Modelling Selectivity Drug design Screening Diagnosis Treatment

  10. Screening Docking Optimisation Crystallography Drugs Genes DMPK properties Case studies Sequence Expression Prediction 3D Structure Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Plenary Lectures

  11. Screening Docking Optimisation Workshops Crystallography NorthWestern DOCK(W5) FlexX (W3) Bioinformatics (W7) Genes CSD (W4) Drugs Sequence Expression Prediction PDB (W2) DMPK properties Case studies 3D Structure WHATCHECK (W6) Metal ions (W8) Crystallography Crystallisation (W1) Mass spectroscopy Electron microscopy NMR spectroscopy

  12. Screening Docking Optimisation Crystallography NorthWestern DOCK(W5) FlexX (W3) Genes Bioinformatics (W7) CSD (W4) Sequence Expression Prediction Drugs PDB (W2) DMPK properties Case studies 3D Structure WHATCHECK (W6) Metal ions (W8) Crystallography Mass spectroscopy Electron microscopy NMR spectroscopy Crystallisation (W1) Professional Contacts Workshops Discussions Posters Plenary Lectures Recreation

  13. 1st Course of the International School of Molecular and Structural Archaelogy Cosmetic and Therapeutic Chemicals A NATO Advanced Research Workshop Directors Professor Janus Lipkowski Institute of Physical Chemistry Academy of Sciences, Warsaw, Poland Professor Georges Tsoucaris Centre de recherche et de Restauration des Musees de France CNRS, Paris France

  14. 33rd Course of the International School of Crystallography Sponsors Elsevier

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