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  • Joined May 7, 2026

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aryakc-compbio/README.md

Arya KC

M.Pharm Pharmacoinformatics Student | NIPER Kolkata

Skills

  • Molecular Docking
  • Molecular Dynamics (NAMD, GROMACS)
  • Material Science
  • MM-GBSA
  • PyMOL
  • VMD
  • Python
  • Bioinformatics
  • Machine Learning (Learning)

Featured Projects

  • DPP4 Inhibitor Docking and MD Study
  • EGFR Computational Drug Discovery Pipeline
  • GROMACS Workflows

Contact

LinkedIn: www.linkedin.com/in/arya-kc Email: arya2000kc@gmail.com

Popular repositories Loading

  1. GROMACS-Workflows GROMACS-Workflows Public

    Python

  2. bioinformatics-data-mining bioinformatics-data-mining Public

    Python

  3. EGFR-computational-drug-discovery-pipeline EGFR-computational-drug-discovery-pipeline Public

    Computational drug discovery pipeline for EGFR-targeted therapeutics using docking, molecular dynamics, and protein–ligand interaction analysis.

    Rich Text Format

  4. Docking-pipeline Docking-pipeline Public

    Python

  5. DPP4-inhibitor-docking-MD-study DPP4-inhibitor-docking-MD-study Public

    Structure-based drug discovery study of DPP-4 inhibitors integrating molecular docking, MD simulations, and binding free energy analysis.

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  6. aryakc-compbio aryakc-compbio Public