3D protein-protein docking using shape complementarity and fast alignment | IEEE Conference Publication | IEEE Xplore

3D protein-protein docking using shape complementarity and fast alignment


Abstract:

In this paper, a novel approach for fast protein-protein docking based on geometric complementarity is introduced. Complementarity matching is achieved using a rotation-i...Show More

Abstract:

In this paper, a novel approach for fast protein-protein docking based on geometric complementarity is introduced. Complementarity matching is achieved using a rotation-invariant 3D shape descriptor, the Shape Impact Descriptor (SID). Rotation invariance enables matching of equally-sized surface patches without the need for initial alignment. The candidate poses are computed using an intuitive alignment method, which is much faster than exhaustively searching the translational and rotational space of the ligand. The method yields competitive results when compared to other well-known geometry-based, rigid-docking approaches.
Date of Conference: 11-14 September 2011
Date Added to IEEE Xplore: 29 December 2011
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Conference Location: Brussels, Belgium

References

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