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I will perform molecular docking and virtual screening for drug design
Bioinformatics Analyst and RNA Seq Data Visualization
I help researchers turn biological data into clear, reproducible results. My focus is bulk RNA-seq analysis using R and DESeq2, including differential expression, PCA, volcano plots, heatmaps and path...
About this Gig
Explore protein-ligand interactions with a clearly scoped molecular docking and virtual screening workflow.
I will prepare your supplied protein structure and ligand set, run docking against an agreed binding site, and organize the results into usable files and clear figures.
Depending on your package, deliverables include:
- Ranked docking scores and binding poses
- 2D/3D interaction figures
- Comparative analysis of selected ligands
- ADME predictions for the top 5 compounds in Premium
- Methods, key settings and a written results summary
All packages cover one protein target. Basic includes up to 5 ligands, Standard 20 and Premium 50. Please send the PDB structure or ID, ligand structures/IDs, binding-site details and your research objective before ordering.
Docking scores and ADME results are computational predictions, not proof of biological activity. Molecular dynamics, QSAR, protein modelling and additional targets require separate assessment. Revisions cover the agreed scope; new compounds or targets are extra.
Message me first so we can confirm input quality, scope and delivery.
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FAQ
What should I send before ordering?
Send your protein PDB file or ID, ligand SDF/MOL2 files or compound IDs, target binding site, reference ligand if available and study goal. I will confirm feasibility and scope before you order.
Are molecular dynamics and experimental validation included?
No. These packages cover computational docking and the stated analyses. Scores do not prove binding, efficacy or safety. MD simulations, QSAR and additional targets are outside the listed packages.
