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I will perform molecular docking and virtual screening
Anabia M.
About this gig
MPhil Researcher specializing in High-Precision Molecular Docking & Virtual Screening.
Need publication-ready computational modeling for your thesis or research? I provide expert in silico drug discovery services using industry-standard protocols to ensure geometric accuracy and binding stability.
Services I Provide:
- Molecular Docking: Protein-ligand docking using AutoDock Vina, PyRx, and CB-Dock2.
- Virtual Screening: High-throughput screening of chemical libraries to identify lead compounds.
- 3D Visualization: High-resolution renders and interaction mapping using PyMOL/Discovery Studio.
- Post-Docking Analysis: Comprehensive evaluation of binding affinities (kcal/mol) and H-bond stability.
- Technical Reporting: Detailed analysis ready for journal submission or academic defense.
Why Choose My Services?
- Academic Rigor: Results formatted to meet W-Category journal standards.
- Software Expertise: Mastery in PyMOL, GROMACS, and AutoDock suites.
- Validation: Protocols include Redocking to ensure an RMSD threshold of < 2.0 Å.
Please message me with your Protein (PDB ID) and Ligand details before ordering to discuss your specific project goals!
Get to know Anabia M.
Anabia M.
MPhil Scholar, Bioinformatics and Drug Discovery Expert
- FromPakistan
- Member sinceOct 2025
- Avg. response time1 hour
Languages
English, Urdu
MPhil Scholar specializing in Bioinformatics & Nanobiotechnology.
I bridge the gap between computational drug discovery and laboratory synthesis. With expertise in Molecular Docking (AutoDock Vina), MD Simulations (GROMACS), and ADMET profiling, I provide publication-ready results for researchers and students.
My approach combines in silico precision with an understanding of experimental feasibility. Whether you need virtual screening or detailed interaction mapping, I deliver validated data for your thesis or high-impact journal article.
Let’s advance your research together.
My Portfolio
FAQ
What files do I need to provide?
Please provide: Target Protein (PDB ID or file). Ligands (SDF or MOL2 format). Grid Box Info: If you have specific coordinates (X, Y, Z) and dimensions, please provide them. Otherwise, please specify the active site residues or if I should perform blind docking.
Which software do you use for docking?
I primarily use AutoDock Vina and CB-Dock2, but I can adapt to other specific tools if required for your project.
Can you provide publication-quality figures?
Yes! I use Discovery Studio to create high-resolution 3D and 2D interaction plots ready for journals.
Do you offer Molecular Dynamics (MD) simulations?
My standard packages focus on docking, but I can perform MD simulations as a custom offer. Please message me to discuss the trajectory length.
