Bioinformtica Estructural

Introduccin a la Bioinformtica Estructural

Mauricio Arenas. marenas@utalca.cl

Que es Bioinformtica estructural?

O Es una subdisciplina de la bioinformtica que

se encarga de representar, almacenar, recuperar, analizar y mostrar la informacin estructural a escala subcelular y atmica. O Tiene dos grandes objetivos:
O La creacin de mtodos para la manipulacin

de informacin de macromolculas biolgicas O Aplicacin de estos u otros mtodos para resolver problemas biolgicos y crear nuevo conocimiento.
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Porque surge?
O Primero: el incremento en la cantidad de datos

experimentales sobre secuencias (aminoacidicas y nucleotidicas), que ha producido el desarrollo de mtodos computacionales y algoritmos para realizar alineamientos de pares, mltiples, bsqueda y definicin de motivos, as como tambin el uso de modelos probabilsticos como las cadenas ocultas de Markov para buscar genes.

Porque surge?
O Segundo: el incremento en la cantidad de datos

disponibles sobre informacin estructural de macromolculas que ha permitido aumentar el inters de la computacin en desarrollar nuevos mtodos para el anlisis geomtrico, computacin grafica (CUDA), creacin de algoritmos y software para el anlisis de datos cristalogrficos. En este punto es donde la Bioinformtica estructural surge.

Premios Nobel asociados a cristalografa o estructuras moleculares

O 2012 Chemistry. R. J. Lefkowitz and B. K. Kobilka

For studies of G-protein-coupled receptors

O 2011 Chemistry.. D. Shechtman.

For the discovery of quasicrystals

O 2010 Physics. A. Geim and K. Novoselov

For groundbreaking experiments regarding the two-dimensional material graphene

O 2009 Chemistry. V. Ramakrishnan, T. A. Steitz and A. E. Yonath

Studies of the structure and function of the ribosome

O 2006 Chemistry. R. D. Kornberg.

Studies of the molecular basis of eukaryotic transcription

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Premios Nobel asociados a cristalografa o estructuras moleculares

2003 Chemistry. R. MacKinnon Potassium channels
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1997 Chemistry. P. D. Boyer, J. E. Walker and J. C. Skou Elucidation of the enzymatic mechanism underlying the synthesis of adenosine triphosphate (ATP) and discovery of an ion-transporting enzyme
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1996 Chemistry. R.Curl, H. Kroto and R. Smalley Discovery of the fullerene form of carbon
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1994 Physics. C. Shull and N. Brockhouse Neutron diffraction

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1992 Physics. G. Charpak Discovery of the multi wire proportional chamber

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1991 Physics.P.-G. de Gennes Methods of discovering order in simple systems can be applied to polymers and liquid crystals
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Premios Nobel asociados a cristalografa o estructuras moleculares

1988 Chemistry. J. Deisenhofer, R. Huber and H. Michel For the determination of the three-dimensional structure of a photosynthetic reaction centre
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1985 Chemistry. H. Hauptman and J. Karle Development of direct methods for the determination of crystal structures
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1982 Chemistry. A. Klug Development of crystallographic electron microscopy and discovery of the structure of biologically important nucleic acid and protein complexes
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1976 Chemistry. W. N. Lipscomb Structure of boranes

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1972 Chemistry. C. B. Anfinsen Folding of protein chains

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1964 Chemistry. D. Hodgkin Structure of many biochemical substances including Vitamin B12
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1962 Physiology or Medicine. F. Crick, J. Watson and M. Wilkins The helical structure of DNA
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Premios Nobel asociados a cristalografa o estructuras moleculares

1962 Chemistry. J. C. Kendrew and M. Perutz For their studies of the structures of globular proteins
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1954 Chemistry. L. C. Pauling For his research into the nature of the chemical bond and its application to the elucidation of the structure of complex substances
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1946 Chemistry. J. B. Sumner For his discovery that enzymes can be crystallised
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1937 Physics. C. J. Davisson and G. Thompson Diffraction of electrons by crystals

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1936 Chemistry. P. J. W. Debye For his contributions to our knowledge of molecular structure through his investigations on dipole moments and on the diffraction of X-rays and electrons in gases
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1929 Physics. L.-V. de Broglie The wave nature of the electron

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Premios Nobel asociados a cristalografa o estructuras moleculares

O 1917 Physics. C. G. Barkla

Discovery of the characteristic Rntgen radiation of the elements

O 1915 Physics. W. H. Bragg and W. L. Bragg

Use of X-rays to determine crystal structure

O 1914 Physics. M. Von Laue

Diffraction of X-rays by crystals

O 1901 Physics. W. C. Rntgen

Discovery of X-rays
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Incremento en las tecnologas asociadas a determinacin de estructuras

O Robot para cristalografa O Mtodos automatizados de purificacin de protenas O Automatizacin de softwares de anlisis de datos O NMR

La cantidad de datos disponibles permiten generar estadsticas para encontrar reglas, motivos para predecir sitios de unin, sitios activos, funciones, etc. Vinculando la informacin estructural con otras fuentes de informacin , para poder entender procesos y vas celulares.
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