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I will do molecular docking and bioinformatics analysis for your research
Pharmacist and Healthcare AI Developer
Pharmacist | Bioinformatics Researcher | Healthcare AI Developer
Pharmacist and Founder of MediFlow AI, working where pharmacy, bioinformatics and healthcare technology meet. I help researchers and st...
About this Gig
Need molecular docking results you can actually put in a paper?
I am a Pharm-D pharmacist and computational researcher. I run docking and structure-based analysis the way a journal reviewer expects to see it, with clear methods and publication-ready figures.
WHAT YOU GET
- Protein and ligand preparation (cleaning, protonation, energy minimisation)
- Molecular docking using AutoDock Vina or AutoDock 4
- Binding affinity scores with ranked poses
- 2D and 3D interaction diagrams (Discovery Studio, PyMOL)
- Optional ADMET prediction, drug-likeness and network pharmacology
- A written report with methods, results table and figures
WHY WORK WITH ME
A pharmacy background means the pharmacology is interpreted correctly, not just the numbers reported. My own research includes a Springer Nature formatted manuscript on SETD1A and LSD1 inhibition in schizophrenia.
PLEASE NOTE
I work on a fixed schedule and always deliver within the stated timeline. If you need something faster, message me first and I will tell you honestly whether I can meet your deadline before you order.
Not sure what you need? Message me your target (PDB ID) and ligands and I will confirm the scope before you order.
FAQ
Q: Which software do you use?
AutoDock Vina and AutoDock 4 for docking, PyMOL and Discovery Studio Visualizer for figures, and SwissADME or pkCSM for ADMET prediction. All tools are standard and citable in your methods section.
Q: What do you need from me to start?
Your target protein (a PDB ID or your own structure file) and your ligands as SMILES, SDF, MOL2 or simply chemical names. If you have a binding site or reference ligand in mind, please mention it.
Q: How fast can you deliver?
Basic orders take 7 days, Standard 10 days and Premium 14 days. I keep these timelines realistic so that every delivery is on time and properly checked. If your deadline is tighter, message me before ordering and I will tell you honestly whether it is possible.
Q: Can I use the results in my thesis or publication?
Yes. You receive full rights to the results and figures. I provide a clear methods description you can adapt, and figures are delivered in high resolution.
Q: Do you guarantee a good binding score?
No, and no honest analyst would. Docking reports what the data shows. If a ligand scores poorly I will tell you and explain why, which is far more useful than a number that does not hold up in review.
Q: Can you also write the results section?
Yes. Manuscript formatting and results writing can be added as a custom offer. Message me before ordering so I can quote it properly.
