68 citations · 149 across the 8 of their papers we have counts for
8 papers
Phase behavior of blocky charge lattice polymers: Crystals, liquids, sheets, filaments and clusters
Nicholas A. S. Robichaud, Ivan Saika-Voivod, Stefan Wallin
Motivated by the idea that intrinsically disordered proteins (IDPs) condense into liquid-like droplets within cells, we carry out Monte Carlo simulations of a polymer lattice model…
Aggregate geometry in amyloid fibril nucleation
A. Irbäck, S. Æ. Jónsson, N. Linnemann +2
We present and study a minimal structure-based model for the self-assembly of peptides into ordered beta-sheet-rich fibrils. The peptides are represented by unit-length sticks on a…
Universality and diversity of folding mechanics for three-helix bundle proteins
Jae Shick Yang, Stefan Wallin, Eugene Shakhnovich
In this study we evaluate, at full atomic detail, the folding processes of two small helical proteins, the B domain of protein A and the Villin headpiece. Folding kinetics are stud…
The folding mechanics of a knotted protein
Stefan Wallin, Konstantin B Zeldovich, Eugene I Shakhnovich
An increasing number of proteins are being discovered with a remarkable and somewhat surprising feature, a knot in their native structures. How the polypeptide chain is able to kno…
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…