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English
$
USD
I will molecular docking and virtual screening using autodock vina
Level 1
Has met certain performance criteria and shows strong potential in the marketplace.
About this Gig
Most docking gigs give you numbers. I give you results you can defend to your supervisor.
Experienced in computational drug discovery and virtual screening, having evaluated 65+ bioactive compounds against clinically relevant protein targets with binding affinities reaching 8.9 kcal/mol. Proficient in AutoDock Vina, PyRx, PyMOL, and Discovery Studio for molecular docking, interaction analysis, and molecular dynamics validation.
Every order includes: Protein and ligand preparation; Docking run with binding affinity scores; 3D binding pose visualization (PyMOL); 2D interaction diagram (Discovery Studio); Full report in Word or PDF, ready for your thesis.
I also offer: Multi-ligand virtual screening, ADMET profiling via SwissADME, Natural product and phytochemical screening, Thesis Methods section writing with citations.
To start, send me your protein PDB ID and ligand in SMILES or SDF format. Not sure how? Message me first, and I will guide you for free.
Note: Results are computational only and do not guarantee therapeutic efficacy.
My Portfolio
FAQ
What do I need to provide to place an order?
Just your protein's PDB ID (from RCSB.org) and your ligand in SMILES, SDF, or MOL2 format. If you're unsure, message me first and I'll guide you through it for free.
Will the results be usable in my thesis or research paper?
Yes. Every report includes binding affinity values, interaction types, and visualization images formatted for academic use. For Premium orders I also write the Methods section with proper tool citations.
Do you offer ADMET analysis?
Yes, ADMET profiling via SwissADME is included in the Premium package, and can be added to Basic for $10 extra.
