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12 search results found

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.

Dockingpie ⭐ 54

A Consensus Docking Plugin for PyMOL

an integrated tool for molecular docking and virtual screening

Chemoinformatics tool for ligand-based virtual screening

Smi2sdf3d ⭐ 15

3D diverse conformers generation using rdkit

Jupyterlabpymolpysnips ⭐ 14

Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.

Annapurna ⭐ 12

AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.

Prankwebapp ⭐ 11

Web application for protein-ligand binding sites analysis and visualization

ligand-based virtual screening with consensus queries

Structureanalyzer ⭐ 6

A program analyzing 3D protein structures from PDB to generate 2D binding motifs

Mmic_docking ⭐ 5

Strategy MMIC for molecular docking

ZDOCK predictions and PDB structures in C++ and Python

Related Searches

Python Ligand (9)

Chemoinformatics Ligand (4)

Protein Ligand (4)

Molecule Ligand (3)

1-12 of 12 search results

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