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BMCBI
2007

FlexOracle: predicting flexible hinges by identification of stable domains

8 years 3 months ago
FlexOracle: predicting flexible hinges by identification of stable domains
Background: Protein motions play an essential role in catalysis and protein-ligand interactions, but are difficult to observe directly. A substantial fraction of protein motions involve hinge bending. For these proteins, the accurate identification of flexible hinges connecting rigid domains would provide significant insight into motion. Programs such as GNM and FIRST have made global flexibility predictions available at low computational cost, but are not designed specifically for finding hinge points. Results: Here we present the novel FlexOracle hinge prediction approach based on the ideas that energetic interactions are stronger within structural domains than between them, and that fragments generated by cleaving the protein at the hinge site are independently stable. We implement this as a tool within the Database of Macromolecular Motions, MolMovDB.org. For a given structure, we generate pairs of fragments based on scanning all possible cleavage points on the protein chain, comp...
Samuel Flores, Mark Gerstein
Added 08 Dec 2010
Updated 08 Dec 2010
Type Journal
Year 2007
Where BMCBI
Authors Samuel Flores, Mark Gerstein
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