Research Assistant and Chemistry Teacher with Biomedical Science Background

I’m a passionate computational chemist specializing in molecular dynamics simulations, molecular docking, and structure-based drug design. With 5+ years of experience, I offer deep expertise in setting up, running, and analyzing MD simulations using tools like AMBER, Schrödinger, and NAMD, as well as conducting accurate docking studies with AutoDock, AutoDock Vina, MOE, OpenEye, and others.
I can help you with:

• System preparation and parameterization
• Protein-ligand and protein-protein docking (including: Advanced docking, Covalent Docking and Induce fit Docking) - MD simulation of biomolecular systems - Trajectory analysis (RMSD, RMSF, hydrogen bonding, Radius of Gyration, Solvent Accessible Surface Area (SASA), and MD simulation move)
• Homology modeling and molecular visualization (using PyMOL, Chimera)
• Pharmacophore-based Virtual Screening (Ligand-based Virtual screening, Structure-based virtual screening and Complex-based virtual screening)
• Report writing and data presentation

Whether you need quick docking results or detailed, production-level MD simulations, I can deliver high-quality work tailored to your research goals.