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Schools

Coarse-Grained Biomolecular Modeling

October 17, 2011 to October 21, 2011
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
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Monday October 17th 2011 - Day 1

Introduction to Coarse Graining

  • 09:00 to 09:20 - Registration
  • 09:20 to 09:30 - Welcome
  • 09:30 to 10:30 - Presentation

Alex de Vries: Coarse-graining basics

  • 10:30 to 11:00 - Coffee Break
  • 11:00 to 11:45 - Presentation

Alex de Vries: Coarse-graining validation

  • 11:45 to 12:30 - Presentation

Siewert Jan Marrink: MARTINI model basics

  • 12:30 to 13:30 - Lunch
  • 13:30 to 14:00 - Presentation

GENERAL INSTRUCTIONS PRACTICAL SESSIONS

  • 14:00 to 18:30 - Exercises

MARTINI model basics

Tuesday October 18th 2011 - Day 2

MARTINI model extensions

  • 09:00 to 09:45 - Presentation

Luca Monticelli: MARTINI for proteins

  • 09:45 to 10:30 - Presentation

Luca Monticelli: MARTINI for Carbon Nano Particles

  • 10:30 to 11:00 - Coffee Break
  • 11:00 to 11:45 - Presentation

Emppu Salonen: Coarse-grained modelling of fullerenes, polymers, and their composites

  • 11:45 to 12:30 - Presentation

Siewert Jan Marrink: New developments for MARTINI

  • 12:30 to 13:30 - Lunch
  • 13:30 to 18:30 - Exercises

Advanced MARTINI modeling

  • 18:30 to 20:00 - Poster Session

With drinks and light snacks

Wednesday October 19th 2011 - Day 3

Extreme Coarse Graining

  • 09:00 to 10:30 - Presentation

Markus Deserno: Extreme coarse graining

  • 10:30 to 11:00 - Coffee Break
  • 11:00 to 12:30 - Presentation

Julian Shillcock: Generic Amphiphile models and Dissipative Particle Dynamics

  • 12:30 to 13:30 - Lunch
  • 13:30 to 18:30 - Exercises

Extremely Coarse-grained models using ESPRESSO

Thursday October 20th 2011 - Day 4

Hierarchical Models

  • 09:00 to 10:30 - Presentation

Will Noid: Hierarchical Coarse Graining Theory

  • 10:30 to 11:00 - Coffee Break
  • 11:00 to 12:00 - Presentation

Will Noid: Hierarchical Coarse Graining Examples

  • 12:00 to 13:00 - Lunch
  • 13:00 to 18:00 - Exercises

Hierarchical Coarse Graining Potentials

  • 19:00 to 22:00 - Dinner

Venue To Be Announced

Friday October 21st 2011 - Day 5

Now it's your turn!

  • 09:00 to 12:30 - Exercises

All tutorials and FEEDBACK on Participant's projects

  • 12:30 to 12:31 - Closing Word

Lunch and Departure (CECAM facilities available until 1700 hours)