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I will molecular docking with autodock vina, pyrx, moe and interaction analysis
Molecular Docking ADMET and Network Pharmacology Analysis for Researchers
I'm Fahad, a computational biologist running InSilicoLogics. I help researchers, students and drug-discovery teams with molecular docking, ADMET/toxicity prediction, and network pharmacology using Aut...
About this Gig
Looking for professional molecular docking for your drug discovery research? I perform protein-ligand docking using AutoDock Vina (PyRx /MOE/ AutoDock Tools) and deliver clean, easy-to-use results.
WHAT YOU GET
Protein and ligand preparation (water removal, minimization, grid box setup)
Docking against 1-10 protein targets (PDB)
Ranked binding affinity table (kcal/mol) with best poses
2D and 3D interaction diagrams (hydrogen bonds, hydrophobic contacts, key residues) via Discovery Studio Visualizer and PyMOL
Optional ADMET and drug-likeness summary
Redocking validation (RMSD) on request
Clear PDF report with methods
GOOD FOR
Natural product and phytochemical docking, virtual screening, drug repurposing, inhibitor studies, and early in silico drug design.
WHY INSILICOLOGICS
Medical Laboratory Sciences background, careful preparation, tidy figures, fast delivery, and quick replies.
BEFORE ORDERING
Message me your compound (name, PubChem CID or SMILES) and target list (PDB IDs).
Docking results are computational predictions and require experimental validation.
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FAQ
Which software do you use?
AutoDock Vina via PyRx and AutoDock Tools, with Discovery Studio Visualizer and PyMOL for figures.
Can you pick the protein targets?
Yes. Tell me your disease or pathway and I'll suggest PDB targets for you to approve.
Do you validate the docking?
Yes, redocking of the co-crystal ligand (RMSD) is in Premium or available as an add-on.
Can you guarantee results?
No. Docking is predictive and needs lab validation.
