I will perform molecular docking and drug discovery analysis

Are you looking for computational drug discovery analysis for your research or publication?

I offer end-to-end in silico drug discovery services from compound library curation to lead identification using industry-standard tools and publication-ready workflows.

I offer:

• Molecular Docking: AutoDock Vina, PyRx, binding affinity analysis
• Virtual Screening: ADMET filtering, Lipinski's Rule of Five, lead shortlisting
• Network Pharmacology: target prediction, PPI networks, hub gene identification
• Transcriptomics Integration: DEG analysis, WGCNA, GEO dataset processing
• QSAR Modeling: bioactivity prediction using Random Forest and ML models
• Visualization: PyMOL, Discovery Studio, Cytoscape interaction maps

Skills:

• AutoDock Vina · PyRx · GROMACS · PyMOL
• Python · R · RDKit · scikit-learn
• Cytoscape · Discovery Studio
• ChEMBL · PubChem · UniProt · PDB

Why choose me:

• First-author manuscripts in preparation using these exact workflows
• Publication-standard reproducible pipelines
• End-to-end project ownership no hand-holding needed from your side
• Timely delivery with clear communication
• Confidentiality assured