I will perform molecular docking and MD simulation analysis

Need molecular docking or MD simulation done accurately, with results you can actually interpret and defend?

I hold an MS in Molecular Virology and a BS in Bioinformatics. My thesis work involved virtual screening, molecular docking, and molecular dynamics simulation to evaluate candidate inhibitors against disease-relevant protein targets, so I understand the biology behind the numbers, not just how to run the software.

Tools I work with:

• AutoDock Vina, Discovery Studio (molecular docking and virtual screening)
• GROMACS (molecular dynamics simulation)
• PyMOL and UCSF Chimera, Chimera X (structural visualization)

I offer:

• Virtual screening of compound libraries against a target
• Protein-ligand docking with binding pose visualization
• 2D and 3D interaction analysis
• MD simulation (typically up to 10-20 ns) with RMSD, RMSF, H-bond, and radius of gyration analysis
• Clear written report explaining methodology and results

Message me before ordering to discuss your target, ligand(s), and which package fits your project. Larger systems or longer simulations can be discussed as a custom order.