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F²Dock: Fast Fourier Protein-Protein Docking
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ISSN: 1545-5963
Chandrajit L. Bajaj, University of Texas at Austin, Austin
Rezaul Chowdhury, University of Texas at Austin, Austin
Vinay Siddahanavalli, Google Inc., Mountain View
The functions of proteins is often realized through their mutual interactions. Determining a relative transformation for a pair of proteins and their conformations which form a stable complex, reproducible in nature, is known as docking. It is an important step in drug design, structure determination and understanding function and structure relationships. We provide a scoring model for rigid docking and error-bounded approximation algorithms to predict docking sites. Translational search is sped up using the Fourier domain. Shape based interactions is shown to give good results for a large range of pairs of proteins.
Index Terms:
Geometrical problems and computations, Computation of transforms
Citation:
Chandrajit L. Bajaj, Rezaul Chowdhury, Vinay Siddahanavalli, "F²Dock: Fast Fourier Protein-Protein Docking," IEEE/ACM Transactions on Computational Biology and Bioinformatics, 03 Jun. 2009. IEEE computer Society Digital Library. IEEE Computer Society, <http://doi.ieeecomputersociety.org/10.1109/TCBB.2009.57>
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