6/16/2023 0 Comments Autodock vina plugin for pymol mac![]() ![]() ![]() Also contains a druggability prediction score. fpocket includes two other programs (dpocket & tpocket) that allow you to extract pocket descriptors and test own scoring functions respectively. ![]() Developed in the C programming language and currently available as command line driven program. Open source protein pocket (cavity) detection algorithm based on Voronoi tessellation. Software tool for analysis and visualisation of tunnels and channels in protein structures. Several capabilities of visualization and analysis have been developed and are provided by the Molecular and Cellular Modeling group at Heidelberg Institute for Theoretical Studies, Germany. Contrarily to many tools, it is not intended for ligand binding pocket identification per se, but rather to predict significant changes in the spatial and physicochemical properties of a given pocket that may arise due to the protein's flexibility (both backbone and side chains). TRAnsient Pockets in Proteins (TRAPP) is a web server for the analysis of transient binding pockets in proteins. Can be used for site mining, drug repurposing and site classification at PDB scale. Searches into 3D databases, find similar binding surfaces and generate 3D superpositions based on common surface chemical features and similar shape. Program for macromolecules surface similarity detection.
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