/tools/PDB-CAT
PDB-CAT
URV-cheminformatics/PDB-CAT
summary
PDB-CAT is a Jupyter Notebook tool designed to automatically categorize PDB structures based on the type of interaction between proteins and ligands, while also checking for mutations in the protein sequence. It facilitates decision-making in drug discovery by providing clear classifications and outputs for protein-ligand interactions.
description
PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.
topics
drug-discoveryvirtual-screening
Ratings
N/A
0 ratings
Rate this tool: