133 citations · 247 across the 6 of their papers we have counts for
6 papers
Oligomerization of amyloid Abeta peptides using hydrogen bonds and hydrophobicity forces
Giorgio Favrin, Anders Irbäck, Sandipan Mohanty
The 16-22 amino acid fragment of the beta-amyloid peptide associated with the Alzheimer's disease, Abeta, is capable of forming amyloid fibrils. Here we study the aggregation mecha…
Sequence-based study of two related proteins with different folding behaviors
Giorgio Favrin, Anders Irbäck, Stefan Wallin
ZSPA-1 is an engineered protein that binds to its parent, the three-helix-bundle Z domain of staphylococcal protein A. Uncomplexed ZSPA-1 shows a reduced helix content and a meltin…
Two-state folding over a weak free-energy barrier
Giorgio Favrin, Anders Irbäck, Björn Samuelsson +1
We present a Monte Carlo study of a model protein with 54 amino acids that folds directly to its native three-helix-bundle state without forming any well-defined intermediate state…
Folding of a Small Helical Protein Using Hydrogen Bonds and Hydrophobicity Forces
Giorgio Favrin, Anders Irbäck, Stefan Wallin
A reduced protein model with five to six atoms per amino acid and five amino acid types is developed and tested on a three-helix-bundle protein, a 46-amino acid fragment from staph…
Monte Carlo Update for Chain Molecules: Biased Gaussian Steps in Torsional Space
Giorgio Favrin, Anders Irbäck, Fredrik Sjunnesson
We develop a new elementary move for simulations of polymer chains in torsion angle space. The method is flexible and easy to implement. Tentative updates are drawn from a (conform…
Droplet Motion for the Conservative 2D Ising Lattice Gas Dynamics below the Critical Temperature
G. Favrin, E. Marinari, F. Martinelli
We consider the 2D Ising lattice gas in a square of side L with free boundary conditions, temperature below the critical one and particle density slightly above the density of the…