ArticleProtein science : a publication of the Protein Society2005
Protein flexibility prediction by an all-atom mean-field statistical theory.
Article in Protein science : a publication of the Protein Society, 2005. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
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- Co-aggregation of α-synuclein with amyloid-β stabilizes β-sheet-rich oligomers and enhances the formation of β-barrels.Physical chemistry chemical physics : PCCP · 2023Article
- Molecular insights into the oligomerization dynamics and conformations of amyloidogenic and non-amyloidogenic amylin from discrete molecular dynamics simulations.Physical chemistry chemical physics : PCCP · 2022Article
- Computational design of structured loops for new protein functions.Biological chemistry · 2019Review
- The scoring of poses in protein-protein docking: current capabilities and future directions.BMC bioinformatics · 2013Article
- Article
- Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease.Biophysical journal · 2010Article
- Optimization and evaluation of a coarse-grained model of protein motion using x-ray crystal data.Biophysical journal · 2006Article
- Investigating the local flexibility of functional residues in hemoproteins.Biophysical journal · 2006Article
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Authors and funding
5 authors.
Funding
Abstract
We extended a mean-field model to proteins with all atomic detail. The all-atom mean-field model was used to calculate the dynamic and thermodynamic properties of a three-helix bundle fragment of Staphylococcal protein A (Protein Data Bank [PDB] ID 1BDD) and alpha-spectrin SH3 domain protein (PDB ID 1SHG). We show that a model with all-atomic detail provides a significantly more accurate prediction of flexibility of residues in proteins than does a coarse-grained residue-level model. The accuracy of flexibility prediction is further confirmed by application of the method to 18 additional proteins with the largest size of 224 residues.
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Registered trials
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