34 citations · 34 across the 2 of their papers we have counts for
2 papers
cond-mat.stat-mech2009
Arrow of time and non-Markovianity in the non equilibrium folding/unfolding of alanine decapeptide in vacuo
Simone Marsili, Piero Procacci
We present non equilibrium molecular dynamics experiments of the unfolding and refolding of an alanine decapeptide in vacuo subject to a Nose-Hoover thermostat. Forward (unfolding)…
physics.comp-ph2007★ 34 cited
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators
Riccardo Chelli, Simone Marsili, Piero Procacci
We present an approach to the estimate of the potential of mean force along a generic reaction coordinate based on maximum likelihood methods and path-ensemble averages in systems…