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protein-surface

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p2rank

rdk / p2rank

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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.

java groovy machine-learning bioinformatics random-forest proteins pdb molecular-structures protein-structure protein-ligand-docking pymol drug-discovery mmcif protein-ligand-interactions binding-sites ligand protein-surface virtual-screening structural-bioinformatics p2rank
  • Updated Apr 12, 2024
  • Groovy

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