I will perform protein ligand molecular dynamic simulations gromacs

Pakistan

I speak Urdu, English

8 orders completed

AI & ML Engineer with 4+ years' experience in computer vision, NLP, and robotics, specializing in cutting-edge AI/ML solutions. Services: Computer Vision: Developed algorithms for railway fault detect...
About this Gig

4 years of experience with molecular dynamic simulations by using high computing systems for simulating protein behaviors and carrying out relevant analaysis.


Tools and resources

  • Protein-ligand docking (AutoDock Vina, PyRx),
  • MD simulations (GROMACS),
  • Interaction and stability analysis (RMSD, RMSF, Rg, SASA),
  • Energy calculations, and visualizations (PyMOL, Chimera).
  • ADMET analysis (SwissADME)



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