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Bioinformática

Bioinformática. Predicción estructural y funcional Máster Biomedicina 2009-10. Programa. Introducción Bases de datos biológicas Comparación de secuencia y búsqueda de homología Predicción funcional Predicción estructural Seminarios. http://mmb.pcb.ub.es/MBIOMED/bioinformatica/.

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Bioinformática

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  1. Bioinformática Predicción estructural y funcional Máster Biomedicina 2009-10

  2. Programa • Introducción • Bases de datos biológicas • Comparación de secuencia y búsqueda de homología • Predicción funcional • Predicción estructural • Seminarios http://mmb.pcb.ub.es/MBIOMED/bioinformatica/

  3. Material y Evaluación • Ejercicios y presentaciones • http://mmb.pcb.ub.es/MBIOMED/bioinformatica • Campus Virtual • Evaluación. Pruebas prácticas • 12 Nov. “control” • 24 Nov. “secuencia” • 25 Nov. “estructura”

  4. Bioinformaticsintuitive definition Informatic tools that can suggest solutions to biological problems

  5. You really understand a system when you are able to represent it using a mathematical equation Lord Kelvin Living organisms are the most perverse of chemical systems Coulson

  6. Consorcio Público Celera Genomics FEBRUARY 2001: NOVIEMBRE 2001 : Ohio State University

  7. Sequencing Paralel / combinatorial synthesis HT Screening Separation Purification Crystallization ...

  8. DATA INFORMATION

  9. Bioinformatics • Genome projects • Functional genomics • Structural genomics • Proteomics, systems biology • Molecular recognition • …

  10. Genome projects Genome Determinations Massive sequencing Genome Annotation Genomics and disease

  11. + 2124 Virus http://www.ncbi.nlm.nih.gov/genomes/static/gpstat.html

  12. http://www.ncbi.nlm.nih.gov/mapview/map_search.cgi?taxid=9606&build=previoushttp://www.ncbi.nlm.nih.gov/mapview/map_search.cgi?taxid=9606&build=previous

  13. Functional genomics Statistical analysis DNA-chips …. Expression profiles Image processing Data mining

  14. Statistical analysis • Clustering • Machine learning methods • Ontology

  15. http://www.ncbi.nlm.nih.gov/geo/

  16. Structure-function analysis 3D Structure Structure-function New biomolecules Molecular modeling Structural genomics X Ray NMR 3D Structure Structure selection Homology

  17. Recognition ability is the basis of biological function3D structure is key for recognition

  18. Rosalyn Franklin Mapa difracción B-DNA

  19. ADA COX-2 FKBP XO

  20. ATP (Mg) - ACV

  21. Dynamic properties. • Molecular recognition requires structural adjustment

  22. Proteomics Proteoma Metaboloma System biology

  23. HUMAN PLASMA

  24. http://www.imb-jena.de/jcb/ppi/

  25. Barabasi et al. (and others), since 1999 Pazos et al., EMBO Reports 2003

  26. Combinatorial chemistry/HTS Massive Synthesis and analysis Library design New drugs Molecular Modeling Docking Virtual screening

  27. Prediction. Possible scenarios 1. Homology can be recognized using sequence comparison tools or protein family databases (blast, clustal, pfam,...). Structural and functional predictions are feasible 2. Homology exist but cannot be recognized easily (psi-blast, threading) Low resolution fold predictions are possible. No functional information. 3. No homology 1D predictions. Sequence motifs. Limited functional prediction. Ab-initio prediction

  28. Reminder • Bioinformatics “suggests” answers, experimental proof is still necessary • Bioinformatics can “save work”. Hypothesis can be tested “in silico” • Bioinformatics can do impossible experiments • However, never trust bioinformatics 

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