SEMINAR @ SISSA, SBP, dott. G. Bussi 11 April at 14 hrs.

[Barbara Corzani]

dear all,

the following seminar will be given in room D.

Kind Regards,
Barbara
  ----- Original Message ----- 
  From: Barbara Corzani 
  To: sbp ; Lorena Bencina ; science-ts at lists.ictp.it ; anna Boccaccio 
  Cc: Simona Regina 
  Sent: Monday, April 07, 2008 9:17 AM
  Subject: SEMINAR @ SISSA, SBP, dott. G. Bussi 11 April at 14 hrs.


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  STATISTICAL AND BIOLOGICAL PHYSICS SEMINAR
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  Dott. Giovanni Bussi
  (ETH Zurich)

  Title:
  "Simulation of (bio)molecules: from equilibrium to nonequilibrium processes"


  Fri 11 April 2008  @ 02.00 p.m.

  SISSA - Basement floor - room C

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  Abstract:

  Recent methodological advances in the calculation of equilibrium free energies using classical molecular dynamics will be presented [1,2] including applications to alanine-dipeptide free-energy and to beta-hairpin folding.
  Next, the calculation of the shuttling rate of a molecular motor will be shown as an example of a nonequilibrium process [3].
  Finally, a research project aimed at the study of the nonequilibrium properties of RNA will be discussed.

  [1] Barducci, Bussi, Parrinello, Phys. Rev. Lett. 100, 020603 (2008).
  [2] Bussi, Gervasio, Laio and Parrinello, J. Am. Chem. Soc. 128, 13435 (2006).
  [3] Raiteri, Bussi, Cucinotta, Credi, Stoddart and Parrinello, Angew.
  Chem. Int. Ed. (2008, early view).