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$
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I will do molecular docking, network pharmacology and in silico drug discovery analysis
About this Gig
Are you looking for expert support in molecular docking, network pharmacology, and in silico studies to accelerate your drug discovery or phytochemical research?
You're in the right place!
We provide comprehensive computational biology and cheminformatics services using advanced tools to help researchers, academics, and pharmaceutical professionals gain deep insights into molecular interactions and pharmacological networks.
Our Services Include:
Molecular Docking:
Precise docking simulations using tools like AutoDock, PyRx, and Discovery Studio to evaluate ligand-protein interactions, binding energies, and druggability.
Network Pharmacology:
Construction and analysis of compound-target and disease-target networks to uncover multi-target mechanisms and synergy in natural or synthetic compounds.
In Silico ADMET & Drug-likeness Analysis:
Evaluate pharmacokinetics, toxicity, and Lipinskis Rule of Five using SwissADME, pkCSM, and related tools.
Pathway and Functional Enrichment Analysis:
Understand the biological relevance of targets using STRING, KEGG, and GO databases.
Let's accelerate your drug discovery journey with reliable, data-driven insights.
Document type:
Documentation
•
Reports
Industry:
Medical & biotech
Language:
English
•
Urdu
Delivery style preference
Please inform the freelancer of any preferences or concerns regarding the use of AI tools in the completion and/or delivery of your order.
FAQ
1. What information do you need to start the project?
Please provide your target protein PDB ID, ligand structures (SMILES or SDF), and any specific binding sites or parameters you wish to explore.
Which software and methods do you use?
I use AutoDock Vina/PyRx for docking, SwissADME and pkCSM for ADMET, Cytoscape for network construction, and KEGG/GO for enrichment analysis.
Can you handle multiple ligands and targets?
Yes—Standard covers 1 network and 1 ligand-target pair; Premium supports up to 3 ligands and multi-target network analysis.
ow are results delivered?
You’ll receive a detailed PDF report with binding scores, interaction diagrams, network maps, enrichment tables, and all raw files (docking logs, network files).
