PatchDock is an algorithm for molecular docking. The input is two molecules of any type: proteins, DNA, peptides, drugs. The output is a list of potential complexes sorted by shape complementarity criteria. PatchDock algorithm is inspired by object recognition and image segmentation techniques used in Computer Vision. Docking can be compared to assembling a jigsaw puzzle. When solving the puzzle we try to match two pieces by picking one piece and searching for the complementary one. We concentrate on the patterns that are unique for the puzzle element and look for the matching patterns in the rest of the pieces. PatchDock employs a similar technique. Given two molecules, their surfaces are divided into patches according to the surface shape. These patches correspond to patterns that visually distinguish between puzzle pieces. Once the patches are identified, they can be superimposed using shape matching algorithms. ..
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References in zbMATH (referenced in 6 articles )
Showing results 1 to 6 of 6.
- Pandey, Shrish Kumar; Yadav, Saveg; Goel, Yugal; Temre, Mithlesh Kumar; Singh, Vinay Kumar; Singh, Sukh Mahendra: Molecular docking of anti-inflammatory drug diclofenac with metabolic targets: potential applications in cancer therapeutics (2019)
- Lampariello, Francesco; Liuzzi, Giampaolo: Global optimization of protein-peptide docking by a filling function method (2015)
- Shi, Xinwei; Koehl, Patrice: Geometry and topology for modeling biomolecular surfaces (2011)
- Paragi-Vedanthi, Padmapriya; Doble, Mukesh: Comparison of (PGH_2)binding site in prostaglandin synthases (2010) ioport
- Schneidman-Duhovny, Dina; Inbar, Yuval; Nussinov, Ruth; Wolfson, Haim J.: Patchdock and symmdock: Servers for rigid and symmetric docking. (2005) ioport
- Duhovny, Dina; Nussinov, Ruth; Wolfson, Haim J.: Efficient unbound docking of rigid molecules (2002)