I will perform molecular docking and virtual screening for drug discovery
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Struggling to get reliable docking results for your research, thesis, or drug discovery project? You're in the right place.
I'm a bioinformatics scientist specializing in molecular docking and virtual screening, with published research in machine learning-guided drug delivery design. I don't just run default software I understand the biology behind every result, so you get accurate, publication-quality analysis.
Tools I work with:
- AutoDock / AutoDock Vina small molecule docking
- HDOCK protein-protein docking
- HPEPDOCK peptide-protein docking
- PyMOL & Discovery Studio structure visualization and analysis
What you get:
- Protein-ligand, protein-protein, or peptide docking
- Virtual screening of compound libraries
- Protein structure preparation and validation
- Binding site prediction
- Clear, written interpretation not just raw files
Whether you're a student needing results for your thesis, a researcher validating a hypothesis, or a company screening drug candidates, I'll make sure you understand exactly what your results mean.
Message me with your target details before ordering I'll confirm scope and give you an accurate timeline and quote.
FAQ
What types of docking can you perform?
Small molecule-protein docking (AutoDock/Vina), protein-protein docking (HDOCK), and peptide-protein docking (HPEPDOCK) — whichever fits your project.
I'm a student — can you help with results for my thesis or research paper?
Yes, this is one of my most common requests. I provide results along with a clear explanation so you understand and can defend your findings.
What do you need from me to start?
The protein structure (PDB ID or file) and ligand/peptide details (SMILES, sequence, or SDF file). If you're not sure, just send me the target name and I'll help.
Can you handle bigger projects than the listed packages?
Yes — message me your project scope and I'll send a custom quote and timeline.
Do you guarantee my results will be publishable?
I ensure the methodology is scientifically sound and results are accurate. Publication also depends on your journal's specific requirements, which I'm happy to discuss.

