Studying Interactions by Molecular Dynamics Simulations at High Concentration

Coarse-grained models for protein aggregation

(2011) Chun Wu et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35

(2011) Jessica Nasica-Labouze et al.   PLoS Computational Biology

A Comparison of Thiol Peroxidase Mechanisms

(2010) Leopold Flohé et al.   ANTIOXIDANTS & REDOX SIGNALING

Structural and Dynamics Characteristics of Acylphosphatase fromSulfolobus solfataricusin the Monomeric State and in the Initial Native-like Aggregates

(2010) Katiuscia Pagano et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Low molecular weight oligomers of amyloid peptides display β-barrel conformations: A replica exchange molecular dynamics study in explicit solvent

(2010) Alfonso De Simone et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulation of β2-microglobulin in denaturing and stabilizing conditions

(2010) Federico Fogolari et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Catalytic mechanisms and specificities of glutathione peroxidases: Variations of a basic scheme

(2009) Stefano Toppo et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Isothermal-isobaric molecular dynamics using stochastic velocity rescaling

(2009) Giovanni Bussi et al.   JOURNAL OF CHEMICAL PHYSICS

A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation

(2009) Stefan Auer et al.   PLoS Computational Biology

The Catalytic Site of Glutathione Peroxidases

(2008) Silvio C. E. Tosatto et al.   ANTIOXIDANTS & REDOX SIGNALING

Evolutionary and Structural Insights Into the Multifaceted Glutathione Peroxidase (Gpx) Superfamily

(2008) Stefano Toppo et al.   ANTIOXIDANTS & REDOX SIGNALING

Molecular dynamics simulations of Alzheimer Abeta40 elongation and lateral association

(2008)   Frontiers in Bioscience-Landmark

The Controlling Roles of Trp60 and Trp95 in β2-Microglobulin Function, Folding and Amyloid Aggregation Properties

(2008) Gennaro Esposito et al.   JOURNAL OF MOLECULAR BIOLOGY