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Search results for protein pocket

7 search results found

Fpocket ⭐ 236

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

Opencadd ⭐ 70

A Python library for structural cheminformatics

Deepdrug3d ⭐ 46

A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.

Proteinensembles.jl ⭐ 21

Generate and perturb protein structural ensembles using the ExProSE algorithm

volume calculation and segmentation

Allopred ⭐ 11

Predict allosteric pockets on proteins

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