Day 1 - April, 30th 2009

Session 1 - Chair: Vio Buchete (Location: Health Sciences Center - Bldg. 16 Rm. C007)

• 01:00 to 02:00 - Lunch Break
• 11:00 to 11:15 - Coffee Break
• 11:15 to 11:30 - Welcome
• 11:30 to 12:30 - William A. Eaton
  
  Hemoglobin S Aggregation and Sickle Cell Disease === Keynote Speaker ===
• 12:30 to 01:00 - Anant Paravastu
  
  Molecular structural basis for polymorphism in Alzheimer's beta-amyloid fibrils

Session 2 - Chair: Joan Shea (Location: Conway - Bldg. 15, Lecture Theatre)

• 02:00 to 02:30 - Ruth Nussinov
  
  Modeling toxic Alzheimer amyloid ion channels
• 02:30 to 03:00 - Philippe Derreumaux
  
  Structures of the low molecular weight amyloid aggregates using a coarse-grained protein approach
• 03:00 to 03:30 - Michael Feig
  
  PRIMO: A transferable coarse-grained model of peptides. Applications to peptide aggregation
• 03:30 to 04:00 - Victor Munoz
  
  Large-scale calculation of mutant effects in protein folding using a minimalist theoretical model
• 04:00 to 04:30 - Coffee Break

Session 3 - Chair: William Eaton (Location: Conway - Bldg. 15, Lecture Theatre)

• 04:30 to 05:00 - Denis Shields
  
  Aggregation as a potential nuisance factor in screening for bioactive oligopeptides: the role of absolute net charge
• 05:00 to 05:30 - Yuguang Mu
  
  Amyloidogenesis abolished by proline substitutions but enhanced by lipid binding
• 05:30 to 06:00 - Robert Best
  
  Optimizing force fields for molecular simulations of unstructured proteins

Day 2 - May, 1st 2009

Session 4 - Chair: Dave Thirumalai (Location: Conway - Bldg. 15, Lecture Theatre)

• 08:00 to 08:30 - Coffee Break
• 08:30 to 09:00 - Suzanne P. Jarvis
  
  Structural and mechanical difference between in vitro and in vivo formed amyloid fibrils
• 09:00 to 10:00 - Markus J. Buehler
  
  Structure prediction and nanomechanical characterization of amyloid fibrils
• 10:00 to 10:30 - Coffee Break

Session 5 - Chair: Suzi Jarvis (Location: Conway - Bldg. 15, Lecture Theatre)

• 10:30 to 11:00 - Paul Barker
  
  Display of functional proteins from amyloid structures
• 11:00 to 11:30 - Emanuele Paci
  
  The mechanism of growth of bacterial pili
• 11:30 to 11:45 - Marieke Schor
  
  Structure and self-assembly of silk-like protein fibres: adding simulation to experiment
• 11:45 to 12:00 - Adrian Nickson
  
  The use of electrostatic interactions to create a two-component amyloid fibre
• 12:00 to 12:20 - Anika Mostaert
  
  Nanomechanical properties of amyloid-based natural adhesives
• 12:20 to 02:00 - Lunch Break

Session 6 - Chair: John Straub (Location: Conway - Bldg. 15, Lecture Theatre)

• 02:00 to 03:00 - Dave Thirumalai
  
  Growth mechanism of amyloid fibrils === Keynote Speaker ===
• 03:00 to 03:30 - Joan-Emma Shea
  
  Effect of β-sheet propensity on peptide aggregation
• 03:30 to 04:00 - Giorgio Colombo
  
  Investigating and inhibiting aggregation: what can simulations tell us?
• 04:00 to 04:30 - Coffee Break

Session 7 - Chair: Vladimir Lobaskin (Location: Conway - Bldg. 15, Lecture Theatre)

• 04:30 to 05:00 - John E. Straub
  
  Probing the principles governing protein aggregation
• 05:00 to 05:30 - Suan Li Mai
  
  Fibril formation of amyloid peptides: from lattice to all-atom simulations
• 05:30 to 06:00 - Stefan Auer
  
  Self-templated nucleation in peptide and protein aggregation
• 06:00 to 06:30 - Reinhard Klement
  
  From monomers to fibrils: alpha-synuclein aggregation in vitro and in silico
• 08:30 to 11:00 - Dinner

Day 3 - May, 2nd 2009

Session 8 - Chair: Robert Best (Location: Conway - Bldg. 15, Lecture Theatre)

• 08:30 to 09:00 - Coffee Break
• 09:00 to 09:30 - Ehud Gazit
  
  Self-assembly of short aromatic peptides: From amyloid fibrils to nanotechnology
• 09:30 to 10:00 - Xavier Periole
  
  Molecular dynamics simulations of a cross-beta filament provide energetic insight into the degree of twist of beta-sheet structures.
• 10:00 to 10:15 - K Hun Mok
  
  Pulse-labelled photo-CIDNP NMR characterization of the unfolded state of Trp-cage, an ultrafast folding protein
• 10:15 to 10:30 - Colm Durkan
  
  TBA
• 10:30 to 11:00 - Coffee Break

Session 9 - Chair: Colm Durkan (Location: Conway - Bldg. 15, Lecture Theatre)

• 11:00 to 11:15 - Virginie Hugouvieux
  
  Self-assembly of amphiphilic multiblock copolymers
• 11:15 to 11:30 - Vladimir Lobaskin
  
  A primitive model study of protein aggregation
• 11:30 to 11:45 - Nicolae-Viorel Buchete
  
  Molecular structures and stability properties of amyloid fibrils
• 11:45 to 12:00 - Closing word