ArticleBiophysical journal2008
Observation of noncooperative folding thermodynamics in simulations of 1BBL.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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14 citing papers in PubMed.
- pH-Dependent cooperativity and existence of a dry molten globule in the folding of a miniprotein BBL.Physical chemistry chemical physics : PCCP · 2018Article
- Using VIPT-jump to distinguish between different folding mechanisms: application to BBL and a Trpzip.Journal of the American Chemical Society · 2013Article
- Effects of two solvent conditions on the free energy landscape of the BBL peripheral subunit binding domain.The journal of physical chemistry. B · 2012Article
- Exploring one-state downhill protein folding in single molecules.Proceedings of the National Academy of Sciences of the United States of America · 2012Article
- Crowding effects on the small, fast-folding protein lambda6-85.Faraday discussions · 2012Article
- Observation of two families of folding pathways of BBL.Biophysical journal · 2011Article
- Biomolecularmodeling and simulation: a field coming of age.Quarterly reviews of biophysics · 2011Review
- Temperature-induced unfolding of epidermal growth factor (EGF): insight from molecular dynamics simulation.Journal of molecular graphics & modelling · 2010Article
- Evidence, from simulations, of a single state with residual native structure at the thermal denaturation midpoint of a small globular protein.Journal of the American Chemical Society · 2010Article
- Rapid equilibrium sampling initiated from nonequilibrium data.Proceedings of the National Academy of Sciences of the United States of America · 2009Article
- Reaching the protein folding speed limit with large, sub-microsecond pressure jumps.Nature methods · 2009Article
- A one-dimensional free energy surface does not account for two-probe folding kinetics of protein alpha(3)D.The Journal of chemical physics · 2009Article
- Dynamics of one-state downhill protein folding.Proceedings of the National Academy of Sciences of the United States of America · 2009Article
- Exploiting the downhill folding regime via experiment.HFSP journal · 2008Article
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3 authors.
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Abstract
One of the predictions of the energy landscape theory of protein folding is the possibility of barrierless, "downhill" folding under certain conditions. The protein 1BBL has been proposed to fold by such a downhill mechanism, though this is a matter of some dispute. We carried out extensive replica exchange molecular dynamics simulations on 1BBL in explicit solvent to address this controversy and provide a microscopic picture of its folding thermodynamics. Our simulations show two distinct structural transitions in the folding of 1BBL. A low-temperature transition involves a disordering of the protein's tertiary structure without loss of secondary structure. A distinct, higher temperature transition involves the complete loss of secondary structure and dissolution of the hydrophobic core. In contrast, control simulations of the 1BBL homolog E3BD show a single high temperature unfolding transition. Further simulations of 1BBL at high ionic strength show a significant destabilization of helix II but not helix I, suggesting that the apparent folding cooperativity of 1BBL may be highly dependent on experimental conditions. Although our simulations cannot provide definitive evidence of downhill folding in 1BBL, they clearly show evidence of a complex, non-two-state folding process.
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