I will perform molecular docking virtual screening MD simulations for drug discovery

Welcome to my advanced in silico drug discovery service!

As a bioinformatics specialist with deep experience in computational drug design, I offer a full workflow from virtual screening to molecular docking and molecular dynamics (MD) simulations.

Services I Offer:

• Protein-ligand docking (AutoDock, Vina, MOE, etc.)
• Ligand and protein preparation
• Virtual screening (structure- and ligand-based)
• MD simulations (GROMACS-based) up to 100 ns
• Analysis: RMSD, RMSF, H-bonds, SASA, PCA, MM-PBSA
• Pose analysis and interaction diagrams
• Optional: ADME/Tox profiling of top candidates

Tools I Use:

GROMACS, AutoDock Vina, Chimera, PyMol, SwissADME, MOE, Discovery Studio

Whether you're optimizing leads, validating hits, or publishing high-impact data, I provide robust, reproducible, and publication-ready results.

Contact me before ordering to ensure the best package for your project. I also offer custom orders for larger systems or collaborative research support.