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SUMMARY:Multidimensional Free Energy Landscapes from Bias-Exchange Metadyn
 amics
DTSTART:20151119T093000
DTSTAMP:20260920T110312Z
UID:a0db449d9f44cbad2eeed84d75e082a119c1a76cb76ff63c5e55fbd5
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Alessandro Laio\, International School for Advanced Stud
 ies (SISSA)\, Trieste (I)\nBIOENGINEERING SEMINARAbstract:\nBias exchange 
 [1] is an approach that combines replica exchange [2] with metadynamics [3
 ] and allows\, with a moderate computational effort\, the simultaneous rec
 onstruction of the free energy as a function of a large number of variable
 s. This allows simulating very complex reactions\, like protein folding\, 
 in which the reaction coordinate is totally unknown. We will discuss appli
 cations of the methodology to protein folding\, to amyloid aggregation\, a
 nd to the study of drug-protein interaction.\n[1] S. Piana and A. Laio\, J
 . Phys. Chem. B  111\, 4553 (2007).\n[2] Y. Sugita and Y. Okamoto\, Chem.
  Phys. Lett. 314\, 141 (1999).\n[3] A. Laio and M. Parrinello\, Proc. Natl
 . Acad. Sci. USA 99\,12562 (2002).Bio:\n\n		February 1995: Degree in Nucle
 ar Engineering at Politectnico di Torino. Thesis: A quantum interpretation
  of the anomalous redshifts in astrophysics and cosmology. Supervisors: Gu
 ido Rizzi and Luigi Accardi (University of Rome II).\n	\n		Ph.D. degree ob
 tained in October 1999 . Thesis: Simulation of iron at Earth core conditio
 ns. Supervisors: Sandro Scandolo\, Guido Chiarotti and Erio Tosatti.\n	\n	
 	January 2000- December 2001: postdoctoral research assistant in the group
  of Prof. Ursula Rothlisberger at ETH Zurich.\n	\n		January 2002- December
  2005: postdoctoral research assistant in the group of Prof. Michele Parri
 nello in Lugano.\n	\n		Since January 2006: Assistant Professor at nternati
 onal School for Advanced Studies (SISSA)\, Trieste (I)\n	\n		Current: Asso
 ciate Professor in Statistical and Biological Physics at SISSA\, Trieste.\
 n
LOCATION:SV1717.1 http://map.epfl.ch/?room=sv1717.1
STATUS:CONFIRMED
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