ArticlePhysical chemistry chemical physics : PCCP2013
Microsecond folding experiments and simulations: a match is made.
Article in Physical chemistry chemical physics : PCCP, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Insights on Aggregation of Hen Egg-White Lysozyme from Raman Spectroscopy and MD Simulations.Molecules (Basel, Switzerland) · 2022Article
- Fast pressure-jump all-atom simulations and experiments reveal site-specific protein dehydration-folding dynamics.Proceedings of the National Academy of Sciences of the United States of America · 2019Article
- A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy.Chemical science · 2018Article
- pH-Dependent cooperativity and existence of a dry molten globule in the folding of a miniprotein BBL.Physical chemistry chemical physics : PCCP · 2018Article
- Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins.Molecules (Basel, Switzerland) · 2017Article
- Perspective: Computer simulations of long time dynamics.The Journal of chemical physics · 2016Article
- Advances in free-energy-based simulations of protein folding and ligand binding.Current opinion in structural biology · 2016Review
- Fast-folding proteins under stress.Cellular and molecular life sciences : CMLS · 2015Review
- Microsecond protein dynamics observed at the single-molecule level.Nature communications · 2015Article
- Mapping fast protein folding with multiple-site fluorescent probes.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Comparing Fast Pressure Jump and Temperature Jump Protein Folding Experiments and Simulations.Journal of the American Chemical Society · 2015Article
- Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics Simulations.Journal of the American Chemical Society · 2015Article
- Fast single-molecule FRET spectroscopy: theory and experiment.Physical chemistry chemical physics : PCCP · 2014Article
- Observation of complete pressure-jump protein refolding in molecular dynamics simulation and experiment.Journal of the American Chemical Society · 2014Article
- A molecular interpretation of 2D IR protein folding experiments with Markov state models.Biophysical journal · 2014Article
- Ultrafast hydrogen exchange reveals specific structural events during the initial stages of folding of cytochrome c.Journal of the American Chemical Society · 2014Article
- Probing the origins of two-state folding.The Journal of chemical physics · 2013Article
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2 authors.
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Abstract
For the past two decades, protein folding experiments have been speeding up from the second or millisecond time scale to the microsecond time scale, and full-atom simulations have been extended from the nanosecond to the microsecond and even millisecond time scale. Where the two meet, it is now possible to compare results directly, allowing force fields to be validated and refined, and allowing experimental data to be interpreted in atomistic detail. In this perspective we compare recent experiments and simulations on the microsecond time scale, pointing out the progress that has been made in determining native structures from physics-based simulations, refining experiments and simulations to provide more quantitative underlying mechanisms, and tackling the problems of multiple reaction coordinates, downhill folding, and complex underlying structure of unfolded or misfolded states.
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