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From       Drug Design           toSelf-assembling Materials         Ivan Coluzza
ProteinsA protein is made of a list of~20 different types of aminoacidsProteins fold tothermodynamically stablestructures ...
Folding vs Design                    E=          Cij Sij                          ijFolding                               ...
Examples of caterpillar             design - refoldingNuclear RNA                   C-Terminal domainexport factor        ...
GroEL/GroES Chaperonin                         Hydrophilic                           Cage                      Equatorial ...
Chaperonin reaction pathway                                                                                           Hydr...
Artificial ProteinHydrogen Bonds                 C                                                                    Patc...
Patchy-Polymer structure space1 Patch                         2 Patches              a                  Increasing        ...
Understand protein                              Patchy polymers  folding and designStructure                       Macrosc...
!   86"9/2)0:%)-,(6$                                       !   ;66(0</=%2                  Acknowledgements               ...
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Proteins and beyond

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Transcript of "Proteins and beyond"

  1. 1. From Drug Design toSelf-assembling Materials Ivan Coluzza
  2. 2. ProteinsA protein is made of a list of~20 different types of aminoacidsProteins fold tothermodynamically stablestructures at finitetemperature called NativeStatesDesign is the process offinding all sequences thatcan fold to a givenconfiguration http://xray.bmc.uu.se/~kurs/BiostrukfunkX2/practicals/practical_1/figs/peptide_bond.jpg
  3. 3. Folding vs Design E= Cij Sij ijFolding Design E= ¯ Cij Sij E= ¯ Cij Sij ij ij ADSVGCA...... EN = ¯ ¯ Cij Sij ij
  4. 4. Examples of caterpillar design - refoldingNuclear RNA C-Terminal domainexport factor Lipoprotein of the Ribosomal Protein G (1PGB) (1OAI) (2K57) Protein (1CTF) Coluzza I., Plos ONE 10.1371/journal.pone.0020853 (2011)
  5. 5. GroEL/GroES Chaperonin Hydrophilic Cage Equatorial Region~164 Å Hydrophobic Trap
  6. 6. Chaperonin reaction pathway Hydrophobic Hydrophilic 4a Non-Native Native State 2 1 4b Trans refolding path 3b Cis refolding path 3a Shuttling ! !Coluzza I., van der Vies S. M., Frenkel D. Biophysical Journal 90 (10): 3375-3381 (2006)
  7. 7. Artificial ProteinHydrogen Bonds C Patchy-Particles 1 2 C o 2.0 A 2.0 A o Hard Core Patch C 2 1 C Bond Bianchi et al. Phys. Rev. Lett. (2006) vol. 97 (16) pp. 4
  8. 8. Patchy-Polymer structure space1 Patch 2 Patches a Increasing interaction b range c
  9. 9. Understand protein Patchy polymers folding and designStructure Macroscopic Drug DesignPrediction FoldingAggregation(Alzheimer) Chaperonin & Direct conversion Folding under of simulations confinement results to Protein experiments Evolution Create a material design framework
  10. 10. ! 86"9/2)0:%)-,(6$ ! ;66(0</=%2 Acknowledgements 12/$"(-"%0>"6%2,6$% ! ! ?6"9((0@($)2A-"%%Christoph Dellago ! :6%2*6%01/B26$Cristos LikosBarbara Capone Marie Curie PrograPeter van Oostrum ! Grants FP6 !Ronald ZirbsErik ReimhultMark MillerMichele VendruscoloDaan FrenkelAngelo CacciutoAngel OrteMaria Jose RuedasSaskia van der ViesFrancesco Sciortino
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