I will run molecular docking and dynamics simulations


Level 2
1 pedido en espera
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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!
Conoce a Dr. Zainab K.
Cofounder The Freelance Bubble
Level 2
- DePakistán
- Miembro desdemay 2025
- Responde aprox. en:1 hora
- Última entrega1 mes
Idiomas
Inglés, Urdu, Punjabí
Mi porfolio
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.
3 comentarios sobre este Servicio
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Desglose de calificaciones
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Ordenar por
A amohseni298_
Cliente recurrente

Estados Unidos
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
USD50-USD100
$
2 días
Tiempo
Z 
Respuesta del Freelancer
Útil?A audreylee04
Cliente recurrente

Australia
Very professional! I am happy with the service. :)
USD100-USD200
$
11 días
Tiempo
Z 
Respuesta del Freelancer
Útil?I imenlaib

Argelia
Delivered on time with all the requested details. A good freelancer.
USD200-USD400
$
4 semanas
Tiempo
Z 
Respuesta del Freelancer
Útil?
3 comentarios sobre este Servicio
| (3) | ||
| (0) | ||
| (0) | ||
| (0) | ||
| (0) |
Desglose de calificaciones
- Nivel de comunicación del Freelancer
- Calidad de la entrega
- Valor de la entrega
Ordenar por
A amohseni298_
Cliente recurrente

Estados Unidos
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
USD50-USD100
$
2 días
Tiempo
Z 
Respuesta del Freelancer
Útil?A audreylee04
Cliente recurrente

Australia
Very professional! I am happy with the service. :)
USD100-USD200
$
11 días
Tiempo
Z 
Respuesta del Freelancer
Útil?I imenlaib

Argelia
Delivered on time with all the requested details. A good freelancer.
USD200-USD400
$
4 semanas
Tiempo
Z 
Respuesta del Freelancer
Útil?

