ArticleOpen biology2012
Accelerated simulation of unfolding and refolding of a large single chain globular protein.
Article in Open biology, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Pharmacological Chaperones and Protein Conformational Diseases: Approaches of Computational Structural Biology.International journal of molecular sciences · 2023Review
- Comparison of Algorithms for Prediction of Protein Structural Features from Evolutionary Data.PloS one · 2016Article
- Prediction of protein structural features from sequence data based on Shannon entropy and Kolmogorov complexity.PloS one · 2015Article
- On macroscopic quantum phenomena in biomolecules and cells: from Levinthal to Hopfield.BioMed research international · 2014Article
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We have developed novel strategies for contracting simulation times in protein dynamics that enable us to study a complex protein with molecular weight in excess of 34 kDa. Starting from a crystal structure, we produce unfolded and then refolded states for the protein. We then compare these quantitatively using both established and new metrics for protein structure and quality checking. These include use of the programs Concoord and Darvols. Simulation of protein-folded structure well beyond the molten globule state and then recovery back to the folded state is itself new, and our results throw new light on the protein-folding process. We accomplish this using a novel cooling protocol developed for this work.
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Registered trials
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