MolLoc -- Molecular Local surface comparison
What you can do:
Compare the binding sites, cavities or any arbitrary residue selection of molecular surfaces.
Highlights:
- MolLoc is a web server for the structural comparison of molecular surfaces.
- It allows the comparison of a query structure with a list of structures.
- Each comparison produces a structural alignment that maximizes the extension of the superimposition of the surfaces, and returns the pairs of atoms with similar physicochemical properties that are close in space after the superimposition.
- Based on this subset of atoms sharing similar physicochemical properties a new rototranslation is derived that best superimposes them.
- MolLoc approach is both local and surface-oriented, and therefore it can be useful when testing if molecules with different sequences and folds share any local surface similarity.
Keywords:
- protein surface
- structural alignment
Literature & Tutorials:
This record last updated: 08-13-2009