This is a public repository for the files reported in "In silico design and selection of new tetrahydroisoquinoline-based CD44 antagonist candidates".

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
Cheminformatics_plots.ipynb		Cheminformatics_plots.ipynb
Crystals_RMSD.ipynb		Crystals_RMSD.ipynb
README.md		README.md
Sequence_aligment.ipynb		Sequence_aligment.ipynb
THQ_aligment.ipynb		THQ_aligment.ipynb
plipMD_V3.py		plipMD_V3.py
plipMD_analyzer.py		plipMD_analyzer.py

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