3 papers
q-bio.BM2009
An effective all-atom potential for proteins
Anders Irbäck, Simon Mitternacht, Sandipan Mohanty
We describe and test an implicit solvent all-atom potential for simulations of protein folding and aggregation. The potential is developed through studies of structural and thermod…
q-bio.BM2004
Folding thermodynamics of peptides
Anders Irbäck, Sandipan Mohanty
A simplified interaction potential for protein folding studies at the atomic level is discussed and tested on a set of peptides with about 20 residues each. The test set contains b…
q-bio.BM2004
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…