I will do molecular docking for drug discovery

India

I speak Tamil, English

Computational Biologist

I am a computational biologist with an M.Tech in Biotechnology and hands-on biopharmaceutical R&D experience. I specialize in structure-based drug discovery, AI-assisted molecular design, and prompt e...
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

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