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$
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I will run molecular docking and dynamics simulations
Dr. Zainab K.
Level 2
1 order in queue
5.0
5.0
About this gig
Message us before ordering to customize your project!
We at The Freelance Bubble provide expert-level molecular docking and MD simulations to support your drug discovery projects. From ligand screening to binding stability analysis, we deliver reproducible, publication-ready results.
- Docking Starter: Docking of 1-2 ligands with target protein + binding affinity and pose visualization. ADMET analysis.
- Binding Insight: 5-10 ligands, interaction analysis, binding site mapping, and comparative docking scores. ADMET analysis
- Dynamic Discovery Suite: Complete docking + MD simulations (upto 100 ns) with RMSD, RMSF, Rg, and binding stability plots. (Discuss if you have more simulation time needed)
Tools and Resources:
- Protein-ligand docking (AutoDock, PyRx),
- MD simulations (GROMACS/AMBER),
- Interaction and stability analysis (RMSD, RMSF, Rg, SASA),
- Energy calculations, and visualizations (PyMOL, Chimera).
- ADMET analysis (SwissADME)
Includes detailed reports, plots, and reproducible scripts (on request).
Message us before ordering to customize your project!
Get to know Dr. Zainab K.
Dr. Zainab K.
Cofounder The Freelance Bubble
Level 2
- FromPakistan
- Member sinceMay 2025
- Avg. response time1 hour
- Last delivery1 month
Languages
English, Urdu, Punjabi
As Co-Founder of The Freelance Bubble, I lead a team of 23+ PhD scholars dedicated to delivering high-quality academic and research support services, including Systematic Reviews, Meta-Analyses, Molecular Simulations, Bioinformatics, Data Analysis, and Scientific Writing.
Besides TFB, I am Biotechnologist turned Bioinformatician, I specialize in in-silico vaccine design, drug repurposing, and coding pipelines. We also organize workshops and training programs to advance research and computational expertise.
We also help start-ups in brandings and visuals.
Own a clothing brand, NayeeReet.
My Portfolio
FAQ
What input files do you need from me?
Typically, I need your protein structure (PDB format) and ligand(s) in MOL2/SDF/PDBQT format. If you don’t have them, I can help prepare them.
What software do you use?
I use AutoDock Vina, PyRx for docking, and GROMACS (or AMBER upon request) for MD simulations. Visualizations are created using PyMOL, Chimera, or VMD.
Can you perform simulations for any protein?
Yes, as long as a valid 3D structure is available (PDB or homology model), I can run docking and MD simulations for it.
Will I receive a report?
Yes. Every package includes a detailed PDF report with methods, results, plots (e.g., RMSD, RMSF), and binding visuals. Premium packages also include input/output files and scripts.
Are these results suitable for publication or thesis work?
Absolutely. I follow research-grade workflows and provide publication-ready visuals and data.
Is my data kept confidential?
Yes. Your data is fully confidential and will not be shared or reused under any circumstance.
Reviews
3 reviews for this Gig
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A amohseni298_
Repeat Client
United States
Dr. Zainab has been a true professional, very knowledgeable, a pleasure to work with. She is honest and straight forward lady. the quality of her work is outstanding. She offers valuable professional advise to her clients. I am truly satisfy with her work and i would recommend her to my colleagues
$50-$100
Price
2 days
Duration
Z 
Seller's Response
Helpful?A audreylee04
Repeat Client
Australia
Very professional! I am happy with the service. :)
$100-$200
Price
11 days
Duration
Z Seller's Response
Helpful?I imenlaib
Algeria
Delivered on time with all the requested details. A good freelancer.
$200-$400
Price
4 weeks
Duration
Z Seller's Response
Helpful?
Reviews
3 reviews for this Gig
| (3) | ||
| (0) | ||
| (0) | ||
| (0) | ||
| (0) |
Rating Breakdown
- Seller communication level
- Quality of delivery
- Value of delivery
Sort By
Most relevant
A amohseni298_
Repeat Client
United States
Dr. Zainab has been a true professional, very knowledgeable, a pleasure to work with. She is honest and straight forward lady. the quality of her work is outstanding. She offers valuable professional advise to her clients. I am truly satisfy with her work and i would recommend her to my colleagues
$50-$100
Price
2 days
Duration
Z Seller's Response
Helpful?A audreylee04
Repeat Client
Australia
Very professional! I am happy with the service. :)
$100-$200
Price
11 days
Duration
Z Seller's Response
Helpful?I imenlaib
Algeria
Delivered on time with all the requested details. A good freelancer.
$200-$400
Price
4 weeks
Duration
Z Seller's Response
Helpful?
