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I will perform molecular docking using autodock vina and pyrx
In Silico Molecular Docking Virtual Screening PyRx and AutoDock Vina
I am a B.Pharm graduate with experience in bioinformatics, in-silico molecular docking, and computational drug discovery. I can assist with protein and ligand preparation, molecular docking, virtual s...
About this Gig
Hello! I'm Shrushti Pawar, a B.Pharm graduate with hands-on experience in in-silico drug discovery and molecular docking. I specialize in providing reliable computational support for researchers, students, and academic projects involving protein ligand molecular docking and interaction analysis.
What I offer:
- Protein preparation and ligand preparation
- Molecular docking using PyRx / AutoDock Vina
- Binding affinity analysis and result interpretation
- Comparative analysis of docked compounds
- Protein ligand interaction analysis
- ️ 2D & 3D docking visualizations
- Professional results summary and documentation
I focus on providing clear, organized, and scientifically presented results tailored to your research requirements.
Whether you're working on an academic project, research study, or in silico drug discovery project, I'm here to provide dependable molecular docking support
FAQ
What information do you need to start the project?
I need the protein/PDB ID, ligand/compound names or structures, and any specific docking requirements you have.
Which software do you use for molecular docking?
I use PyRx with AutoDock Vina, along with tools such as Chimera, PubChem, and BIOVIA Discovery Studio for preparation and interaction analysis.
Do you provide protein–ligand interaction analysis?
Yes. Interaction analysis and 2D/3D visualizations are included in the Standard and Premium packages.
Can you dock a reference/standard drug?
Yes, reference drug comparison can be discussed as an additional requirement, depending on the selected package and project scope.
Can you select the protein/PDB ID for my project?
Yes. If you don't have a specific protein structure, I can help select a suitable PDB structure based on your target, disease, and docking requirements.
