Fast pressure-jump all-atom simulations and experiments reveal site-specific protein dehydration-folding dynamics

New tricks for old dogs: improving the accuracy of biomolecular force fields by pair-specific corrections to non-bonded interactions

(2018) Jejoong Yoo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Monitoring Hydrogen Exchange During Protein Folding by Fast Pressure Jump NMR Spectroscopy

(2017) T. Reid Alderson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dual time-resolved temperature-jump fluorescence and infrared spectroscopy for the study of fast protein dynamics

(2017) Caitlin M. Davis et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Water Determines the Structure and Dynamics of Proteins

(2016) Marie-Claire Bellissent-Funel et al.   CHEMICAL REVIEWS

Can Local Probes Go Global? A Joint Experiment–Simulation Analysis of λ6–85 Folding

(2016) Shahar Sukenik et al.   Journal of Physical Chemistry Letters

Site-Specific Infrared Probes of Proteins

(2015) Jianqiang Ma et al.   Annual Review of Physical Chemistry

Fast Helix Formation in the B Domain of Protein A Revealed by Site-Specific Infrared Probes

(2015) Caitlin M. Davis et al.   BIOCHEMISTRY

Evidence for Dry Molten Globule-Like Domains in the pH-Induced Equilibrium Folding Intermediate of a Multidomain Protein

(2015) Nirbhik Acharya et al.   Journal of Physical Chemistry Letters

Comparing Fast Pressure Jump and Temperature Jump Protein Folding Experiments and Simulations

(2015) Anna Jean Wirth et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mapping fast protein folding with multiple-site fluorescent probes

(2015) Maxim B. Prigozhin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations

(2014) Stefano Piana et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Observation of Complete Pressure-Jump Protein Refolding in Molecular Dynamics Simulation and Experiment

(2014) Yanxin Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unfolding of a Small Protein Proceeds via Dry and Wet Globules and a Solvated Transition State

(2013) Saswata Sankar Sarkar et al.   BIOPHYSICAL JOURNAL

Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure

(2013) Ross A. Lippert et al.   JOURNAL OF CHEMICAL PHYSICS

Interplay between Drying and Stability of a TIM Barrel Protein: A Combined Simulation–Experimental Study

(2013) Payel Das et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Internal Cavities on Folding Rates and Routes Revealed by Real-Time Pressure-Jump NMR Spectroscopy

(2013) Julien Roche et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Microsecond folding experiments and simulations: a match is made

(2013) M. B. Prigozhin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Misplaced helix slows down ultrafast pressure-jump protein folding

(2013) M. B. Prigozhin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Stepwise protein folding at near amino acid resolution by hydrogen exchange and mass spectrometry

(2013) W. Hu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Coupled Motion in Proteins Revealed by Pressure Perturbation

(2012) Yinan Fu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cavities determine the pressure unfolding of proteins

(2012) J. Roche et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

(2011) Stefano Piana et al.   BIOPHYSICAL JOURNAL

Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments

(2011) F. Noe et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

How Fast-Folding Proteins Fold

(2011) K. Lindorff-Larsen et al.   SCIENCE

A Survey of λ Repressor Fragments from Two-State to Downhill Folding

(2010) Feng Liu et al.   JOURNAL OF MOLECULAR BIOLOGY

A one-dimensional free energy surface does not account for two-probe folding kinetics of protein α3D

(2009) Feng Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Reaching the protein folding speed limit with large, sub-microsecond pressure jumps

(2009) Charles Dumont et al.   NATURE METHODS

Dynamics of one-state downhill protein folding

(2009) P. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Direct evidence for a dry molten globule intermediate during the unfolding of a small protein

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

Dewetting and Hydrophobic Interaction in Physical and Biological Systems

(2008) Bruce J. Berne et al.   Annual Review of Physical Chemistry