I will do molecular docking for drug discovery
About this Gig
Are you working on drug discovery, target validation, or
compound screening? I will perform professional molecular
docking and virtual screening for your research project.
WHY CHOOSE ME?
M.Tech Biotechnology with hands-on CADD experience
Completed full virtual screening project for DMD research
Proficient in AutoDock Vina, PyMOL, Python, ChEMBL, ZINC
Fast delivery with clear, publication-ready results
WHAT I WILL DO:
Prepare protein structure from PDB database
Identify and validate active binding site
Screen compound libraries (ChEMBL, ZINC, PubChem)
Perform molecular docking using AutoDock / AutoDock Vina
Rank compounds by binding affinity (ΔG scores)
Analyse key binding residues and interaction types
Visualise protein-ligand complex using PyMOL
Deliver structured results with SAR interpretation
DELIVERABLES:
Docking result files
Binding affinity ranking table
PyMOL interaction images
Written summary report
TOOLS USED:
AutoDock Vina PyMOL Python ChEMBL ZINC PDB
Message me before ordering if you have specific targets
or compound libraries I will confirm feasibility first.
Programming language:
Python
•
R
Technology:
Excel
•
Jupyter Notebook
•
MATLAB
•
Other
Analysis Type:
Statistical Analysis
•
Predictive Analysis
Expertise:
Prediction
•
Statistics
•
Other
Tools:
RStudio
•
Google Colab
•
Other

