A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

Exploring the Folding Free Energy Landscape of Insulin Using Bias Exchange Metadynamics

(2009) Nevena Todorova et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mechanism of Action of Cyclophilin A Explored by Metadynamics Simulations

(2009) Vanessa Leone et al.   PLoS Computational Biology

Rate Constant and Reaction Coordinate of Trp-Cage Folding in Explicit Water

(2008) Jarek Juraszek et al.   BIOPHYSICAL JOURNAL

BlueGene/L applications: Parallelism On a Massive Scale

(2008) Bronis R. de Supinski et al.   INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

Coarse Master Equations for Peptide Folding Dynamics†

(2008) Nicolae-Viorel Buchete et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Trp-cage: optimizing the stability of a globular miniprotein

(2008) B. Barua et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS

Predicting the Effect of a Point Mutation on a Protein Fold: The Villin and Advillin Headpieces and Their Pro62Ala Mutants

(2007) Stefano Piana et al.   JOURNAL OF MOLECULAR BIOLOGY