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Frontiers in Bio-molecular Aggregation: Experiments, Applications and Simulations

April 30, 2009 to May 2, 2009

Location : ACAM - UCD Conway Institute of Biomolecular Research (Lecture Theatre), University College Dublin, Belfield, Dublin 4, Ireland

Details
Participants
Program
Abstracts
Files
Report
 

Organisers

  • Nick Quirke (University College Dublin & Imperial College London, Ireland)
  • Nicolae-Viorel Buchete (University College Dublin, Ireland)
  • Suzanne P. Jarvis (University College Dublin, UCD Conway Institute, Ireland)
  • Anika Mostaert (University College Dublin, UCD Conway Institute, Ireland)

Supports

Science Foundation Ireland

University College Dublin

Atlantic Centre for Atomistic Modelling - ACAM



Description

This workshop will bring together both experimentalists and theorists with the goal to identify and discuss the state-of-the-art, emerging techniques that could be used to characterize and control molecular aggregation processes and the formation of nanoscale biomolecular structures, with a focus on peptide and protein aggregation. Current and future applications of these structures will be explored by the inclusion of representatives from relevant industries.

References

1. Buchete NV and Hummer G, "Structure and dynamics of parallel beta-sheets, hydrophobic core, and loops in Alzheimer's Abeta fibrils," Biophys. J. 92:3032-3039 (2007)
2. Buchete NV, Tycko R and Hummer G, "Molecular dynamics simulations of Alzheimer's beta-amyloid protofilaments," J. Mol. Biol. 353:804-821 (2005)
3. Luca S, Yau WM, Leapman R, and Tycko R. "Peptide conformation and supramolecular organization in amylin fibrils: Constraints from solid-state NMR", Biochemistry, 46:13505-13522 (2007)
4. Wickner RB, Dyda F, Tycko R. "Amyloid of Rnq1p, the basis of the [PIN+] prion, has a parallel in-register beta-sheet structure" PNAS 105:2403-2408 (2008)
5. Mostaert AS, and Jarvis SP."Beneficial characteristics of mechanically functional amyloid fibrils evolutionarily preserved in natural adhesives". Nanotechnology 18:044010 (2007)
6. Mostaert AS, Higgins MJ, Fukuma T, et al. "Nanoscale mechanical characterisation of amyloid fibrils discovered in a natural adhesive" J. Biol. Phys 32:393-401 (2006)
7. Tarus B, Straub JE, and Thirumalai D. "Structures and free-energy landscapes of the wild type and mutants of the Abeta(21-30) peptide are detennined by an interplay between intrapeptide electrostatic and hydrophobic interactions". J. Mol. Biol., 379:815-829 (2008)
8. Nguyen PH, Li MS, Stock G, Straub JE, and Thirumalai D "Monomer adds to preformed structured oligomers of Abeta-peptides by a two-stage dock-lock mechanism", PNAS, 104: 111-116 (2007)
9. Thirumalai D, Klimov DK, Dima RI, "Emerging ideas on the molecular basis of protein and peptide aggregation", COSB 13:146-159 (2003)
10. Vaiana SM, Ghirlando R, Yau WM, Eaton WA, and Hofrichter J. "Sedimentation studies on human amylin fail to detect low-molecular-weight oligomers", Biophys J. 94: L45-L47 (2008)
11. Eaton WA, Henry ER, Hofrichter J, et al. "Evolution of allosteric models for haemoglobin", IUBMB LIFE 59:586-599 (2007)
12. Petkova AT, Leapman RD, Guo Z, Yau WM, Mattso MP, and Tycko R. "Self-propagating molecular-level polymorphism in Alzheimer"s "-Amyloid Fibrils", Science 307: 262-265 (2005)
13. Ryadnov MG, and Woolfson DN "MaP peptides: Programming the self-assembly of peptide-based mesoscopic matrices", JACS 127: 12407-12415 (2005)
14. Papapostolou D, Smith AM, Atkins EDT, Oliver SB, Ryadnov MG, Serpell LC, and Woolfson DN "Engineering nanoscale order into a designed protein fiber", PNAS 104: 10853-10858 (2007)
15. Smith AM, Acquah SFA, Bone N, Kroto HW, Ryadnov MG, Stevens MSP, Walton DRM, and Woolfson DN " Polar assembly in a designed protein fiber", Angew. Chem. Intl. Ed. 44: 325-328 (2005)
16. Jahn T, Parker M, Homans SW, and Radford SE " Amyloid formation under physiological conditions proceeds via a native-like folding intermediate", Nat. Struct. Mol. Biol. 13: 195-201 (2006)
17. Antzutkin ON, Balbach JJ, and Tycko R "Site-specific identification of non-beta-strand conformations in Alzheimer's beta-amyloid fibrils by solid-state NMR", Biophys. J. 84: 3326"3335 (2003)
18. Tycko R "Progress towards a molecular-level structural understanding of amyloid fibrils", Curr. Opin. Struct. Biol. 14: 96-103 (2004)
19. Makin OS, Atkins E, Sikorski P, Johansson J, and Serpell LC "Molecular basis for amyloid fibril formation and stability", PNAS 102: 315-320 (2005)
20. Nelson R, Sawaya MR, Balbirnie M, Madsen AO, Riekel C, Grothe R, and Eisenberg D " Structure of the cross-beta spine of amyloid-like fibrils" Nature 435: 773"778 (2005)
21. Cleary J, Walsh DM, et al. "Oligomers but not monomers of the amyloid " protein transiently disrupt learned behavior", Nat. Neurosci. 8:79-84 (2005)
22. Keten S, and Buehler MJ, "Geometric Confinement Governs the Rupture Strength of H-bond Assemblies at a Critical Length Scale", Nano Lett. 8: 743-748 (2008)
23. Carny O, Shalev D, and Gazit E (2006) "Fabrication of Coaxial Metal Nanowires Using Self-Assembled Peptide Nanotube Scaffold", Nano Lett. 6: 1594-1597 (2006)
24. Reches M, and Gazit E "Controlled Patterning of Aligned Self-Assembled Peptide Nanotubes", Nature Nanotech. 1: 195-200 (2006)
25. Colmbo G, Soto P, and Gazit E "Self Aggregating Systems and Peptides and their Possible Use", Trends Biotechnol. 25: 211-218 (2007)
26. Ackbarow T, Cheng X, Keten S, and Buehler MJ, "Hierarchies, multiple energy barriers and robustness govern the fracture mechanics of alpha-helical and beta-sheet protein domains ", PNAS 104: 16410-16415 (2007)
27. Silva GA, Czeisler C, Niece KL, Beniash E, Harrington DA, Kessler JA and Stupp SI "Selective differentiation of neural progenitor cells by high-epitope density nanofibers", Science 303: 1352-1355 (2004)
28. Scheibel T, Parthasarathy R, Sawicki G, Lin XM, Jaeger H, and Lindquist SL "Conducting nanowires built by controlled self-assembly of amyloid fibers and selective metal deposition", PNAS 100: 4527-4532 (2003)
29. Supple S, and Quirke N "Short range united atom potentials for alkanes: Decane and nonane", Molecular Simulation 29: 77-82 (2003)
30. Quirke N, "Molecular modelling and simulation: Tools for the modern era," Molecular Simulation 26:1 (2001)


CECAM - Centre Européen de Calcul Atomique et Moléculaire
Ecole Polytechnique Fédérale de Lausanne, Batochime (BCH), 1015 Lausanne, Switzerland