32 citations · 71 across the 11 of their papers we have counts for
3 papers · 1 filter
Fluctuations in the Ensemble of Reaction Pathways
G. Mazzola, S. a Beccara, P. Faccioli +1
The dominant reaction pathway (DRP) is a rigorous framework to microscopically compute the most probable trajectories, in non-equilibrium transitions. In the low-temperature regime…
Quantum Diffusive Dynamics of Macromolecular Transitions
S. a Beccara, G. Garberoglio, P. Faccioli
We study the role of quantum fluctuations of atomic nuclei in the real-time dynamics of non-equilibrium macro-molecular transitions. To this goal we introduce an extension of the D…
Dominant folding pathways of a peptide chain, from ab-initio quantum-mechanical simulations
S. a Beccara, P. Faccioli, G. Garberoglio +3
Using the Dominant Reaction Pathways method, we perform an ab-initio quantum-mechanical simulation of a conformational transition of a peptide chain. The method we propose makes it…