A Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail Simulation of Polypeptide Aggregation Using Bias-Exchange Metadynamics

FAHIMEH BAFTIZADEH (1), XEVI BIARNES(1),(3), FABIO PIETRUCCI(2),
FABIO AFFINITO(4), ALESSANDRO LAIO(1)

1 SISSA, Trieste
2 Centre Europeen de Calcul Atomique et Moleculaire, Lausanne, Switzerland
3 Institut Quimic di Sarria Universitat Ramon Llull, Barcelona, Spain
4 CINECA, Bologna