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Computational Chemistry for Fun

If you want to cite this work, please use this DOI link for Zenodo DOI

Codes were written by Joo-Chan Kim at Molecular Synthetic Biology Laboratory in Korea Advanced Institute of Science and Technology (http://msbl.kaist.ac.kr).

If you have any questions or improvements to make, please contact me through kimjoochan@kaist.ac.kr .

  • Ligand-Protein Docking in Korean Open In Colab

  • Ligand-Protein Docking in English Open In Colab

  • MD simulation in Korean Open In Colab

  • MD simulation in English Open In Colab


Video Tutorial

  • Protein-Ligand Complex MD in English

Protein-Ligand Complex MD Tutorial)

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