Essential dynamics: foundation and applications

Molecular Origin of Gerstmann-Sträussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide

(2011) Isabella Daidone et al.   BIOPHYSICAL JOURNAL

Interplay of Flavin’s Redox States and Protein Dynamics: An Insight from QM/MM Simulations of Dihydronicotinamide Riboside Quinone Oxidoreductase 2

(2011) Robyn M. Mueller et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

(2011) Laura Zanetti Polzi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The normal modes of a protein: Native bovine pancreatic trypsin inhibitor

(2010) Michael Levitt et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical characterization of electronic states in interacting chemical systems

(2009) Andrea Amadei et al.   JOURNAL OF CHEMICAL PHYSICS

Detection of Functional Modes in Protein Dynamics

(2009) Jochen S. Hub et al.   PLoS Computational Biology

Protein Folding Pathways Revealed by Essential Dynamics Sampling

(2008) Daniele Narzi et al.   Journal of Chemical Theory and Computation

Principal Component Analysis for Protein Folding Dynamics

(2008) Gia G. Maisuradze et al.   JOURNAL OF MOLECULAR BIOLOGY