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I will do molecular docking of ligands with target proteins
Data Science
Greetings,I am a Data Scientist experience in data analysis,machine learning, and predictive analytics.I help businesses, students, and researchers turn raw data into meaningful insights using Python...
About this Gig
Do you want to know how your drug or compound binds to its target protein? I can help!
I will perform molecular docking to predict the most favorable binding of your molecule and provide a detailed drugtarget interaction analysis.
What youll get:
- Accurate docking poses and binding affinity (energy score)
- 2D and 3D interaction diagrams
- High-quality images for reports, presentations, or publications
Tools I use: pyrx, PyMOL, Discovery Studio
Whether youre doing research, thesis work, or drug discovery, I can provide reliable, ready-to-use results.
FAQ
What information do you need to start the docking study?
I require the protein structure (PDB ID or PDB file) and the ligand structure. If you are unsure about the format, you can message me and I will guide you.
What software do you use for molecular docking?
I use PyRx, Discovery Studio, and PyMOL. depending on project requirements and visualization needs.
Will the results be suitable for publication or thesis use?
Yes. All figures, tables, and reports are prepared in a professional, publication- and presentation-ready format suitable for journals, theses, and conferences.
What does the docking score mean?
The docking score represents the binding affinity between the protein and ligand. More negative values indicate stronger predicted binding.
Do you provide interpretation of results?
Yes. I explain key interactions, binding residues, and docking scores in simple, easy-to-understand language within the report.
