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ghoshparnabali / Molecular-Docking-and-ADMET-Profiling-of-Cyanobacterial-Natural-Products-against-BRCA2-DBD

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This repository contains an end-to-end, fully GUI/web-based dual-receptor molecular docking and ADMET profiling pipeline of four cyanobacterial natural products — scytonemin, phycocyanobilin, lyngbyabellin A and nostocarboline — against the BRCA2 DNA-binding domain using PyMOL, AutoDock Vina, PLIP, SwissADME, and ADMETlab 3.0.

bioinformatics cheminformatics protein-data-bank protein-ligand-docking pymol drug-discovery pubchem homology-modeling natural-products cyanobacteria cadd autodock-vina plip p2rank brca2 admet-prediction swissadme admetlab3
  • Updated Jul 6, 2026

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