225 citations · 579 across the 19 of their papers we have counts for
4 papers · 1 filter
Local transition gradients determine the global attributes of protein energy landscapes
Francesco Rao
The dynamical characterization of proteins is crucial to understand protein function. From a microscopic point of view, protein dynamics is governed by the local atomic interaction…
Estimation of protein folding probability from equilibrium simulations
Francesco Rao, Giovanni Settanni, Enrico Guarnera +1
The assumption that similar structures have similar folding probabilities () leads naturally to a procedure to evaluate for every snapshot saved along an equil…
Replica exchange molecular dynamics simulations of amyloid peptide aggregation
M. Cecchini, F. Rao, M. Seeber +1
The replica exchange molecular dynamics (REMD) approach is applied to four oligomeric peptide systems. At physiologically relevant temperature values REMD samples conformation spac…
The protein folding network
Francesco Rao, Amedeo Caflisch
The conformation space of a 20-residue antiparallel -sheet peptide, sampled by molecular dynamics simulations, is mapped to a network. Conformations are nodes of the network, an…