Hierarchy of folding and unfolding events of protein G, CI2, and ACBP from explicit-solvent simulations

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

(2010) Ron O. Dror et al.   JOURNAL OF GENERAL PHYSIOLOGY

Molecular Simulation ofab InitioProtein Folding for a Millisecond Folder NTL9(1−39)

(2010) Vincent A. Voelz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cooperative formation of native-like tertiary contacts in the ensemble of unfolded states of a four-helix protein

(2010) S. W. Bruun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

Experimental determination of upper bound for transition path times in protein folding from single-molecule photon-by-photon trajectories

(2009) H. S. Chung et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ten-Microsecond Molecular Dynamics Simulation of a Fast-Folding WW Domain

(2008) Peter L. Freddolino et al.   BIOPHYSICAL JOURNAL

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

The Unfolded Ensemble and Folding Mechanism of the C-Terminal GB1 β-Hairpin

(2008) Massimiliano Bonomi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynameomics: mass annotation of protein dynamics and unfolding in water by high-throughput atomistic molecular dynamics simulations

(2008) D. A.C. Beck et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Early events in protein folding: Is there something more than hydrophobic burst?

(2008) Carlo Camilloni et al.   PROTEIN SCIENCE