Fpocket: An open source platform for ligand pocket detection

Fpocket: An open source platform for ligand pocket detection

2 June 2009 | Vincent Le Guilloux†1, Peter Schmidtke†2 and Pierre Tuffery*3,4
Fpocket is an open-source platform for ligand pocket detection, based on Voronoi tessellation and alpha spheres. It is built on the Qhull package and is written in C. The platform includes three main programs: Fpocket for pocket identification, Tpocket for benchmarking pocket detection, and Dpocket for extracting pocket descriptors. Fpocket uses a simple scoring function that achieves 94% and 92% accuracy in detecting pockets within the top three ranked pockets of holo and apo proteins, respectively, outperforming other methods. The platform is freely available under the GNU GPL license and is suitable for large-scale evaluations and drugability prediction.Fpocket is an open-source platform for ligand pocket detection, based on Voronoi tessellation and alpha spheres. It is built on the Qhull package and is written in C. The platform includes three main programs: Fpocket for pocket identification, Tpocket for benchmarking pocket detection, and Dpocket for extracting pocket descriptors. Fpocket uses a simple scoring function that achieves 94% and 92% accuracy in detecting pockets within the top three ranked pockets of holo and apo proteins, respectively, outperforming other methods. The platform is freely available under the GNU GPL license and is suitable for large-scale evaluations and drugability prediction.
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