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I will do molecular docking and molecular dynamics simulations
Materials DFT Study: Modeling, Simulation of Solar cell, Photodetector
Author of Multiple Scopus Indexed Research Papers:
Expertise in DFT based Computational study of new materials:- Doping, Molecular Dynamics simulations, Investigating Optical, electronic, Thermoelectr...
Level 1
Has met certain performance criteria and shows strong potential in the marketplace.
About this Gig
I offer professional molecular docking and molecular dynamics (MD) simulation services for academic, pharmaceutical, and industrial research.
I help analyze protein-ligand interactions, binding affinity, stability, and structural behavior using standard computational tools.
Software I Use:
AutoDock Vina, Discovery Studio, PyMOL, GROMACS, Open Babel, Avogadro, AutoDock Tools.
Services Include:
- Protein preparation (cleaning, chain selection, format conversion)
- Ligand preparation and geometry optimization
- File conversion (PDB, PDBQT, SDF, MOL2)
- Grid box setup and molecular docking
- Binding affinity (ΔG) and interaction analysis
- 2D/3D visualization of docked complexes
- Molecular dynamics simulations
- RMSD, RMSF, Radius of Gyration, H-bond analysis
- Complex stability and trajectory analysis
- Publication-quality figures and reports
- Beginner-friendly explanations if needed
Why Choose Me?
- Accurate workflow
- Research-focused results
- Fast communication
- Confidential data handling
Please contact me before ordering to discuss your project requirements.
Service type:
Research
Language:
English
Delivery style preference
Please inform the freelancer of any preferences or concerns regarding the use of AI tools in the completion and/or delivery of your order.
Academic work to be done for you, is unethical since it violates most schools’ Honor Codes.
Asking sellers to prepare homework/academic works on your behalf is against Fiverr’s Community Standard and may lead to your account being disabled.
My Portfolio
FAQ
What do you need from me to start the project?
Please send your protein structure (PDB ID or file), ligand structure (SDF/MOL2/PDB), target information, and project objectives. If you are unsure, I can guide you on the required files.
What will I receive after molecular docking or MD simulation?
You will receive docking scores, binding interaction analysis, 2D/3D complex visualizations, result interpretation, and output files. For MD simulations, you can also receive RMSD, RMSF, Radius of Gyration, hydrogen bond, and stability analysis graphs.
Can you help beginners, students, or thesis researchers?
Yes. I provide beginner-friendly explanations and clear reports suitable for students, researchers, thesis work, publications, and academic presentations
