I will do molecular docking, MD simulation with complete writeup
Molecular Docking, MD Simulation, Network Pharmacology, DFT services
About this Gig
Hi, I am Samiran Sadhukhan. I am a certified (IIT Madras) CADD expert. Although I am new to Fiveer, I have delivered over 20 projects across eight countries, primarily focusing on in silico studies.
Are you looking for professional Molecular Docking or MD Simulation services for your research project or publication?
Molecular Docking: protein-ligand, protein-protein, structure-based & ligand-based approaches
Molecular Dynamics (MD) Simulation (Up to 2000ns using GROMACS): RMSD, RMSF, Rg, hydrogen bonding, stability analysis
Additional Expertise (on request): Network Pharmacology (target prediction, pathway enrichment), DFT Calculations (HOMOLUMO, MEP, quantum chemical descriptors), and Scientific Writing (publication-ready reports, formatted references, figures & tables).
What You Will Get
- Complete docking/MD computational analysis with raw data & results
- Customized report with graphs, tables, and explanations
- Publication-ready scientific write-up
- Free consultation and guidance throughout the project
Why Choose Me?
- Strong academic and research background
- 20+ successful projects delivered worldwide
- 100% transparent workflow (all backup/output files provided)
Service type:
Research
Language:
English
•
Hindi
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
How many nanoseconds (ns) of MD simulation do you provide?
I can run Molecular Dynamics (MD) simulations from 50 ns up to 2000 ns, depending on your project requirements and package selection. Longer simulations can be discussed and customized.
Do you provide all the raw files and analysis data?
Yes! You will get all backup files, input/output files, trajectories, plots, and detailed analysis so that your work is transparent and reproducible.
What kind of docking do you perform?
I perform protein–ligand docking, protein–protein docking, virtual screening, and structure/ligand-based docking with high accuracy.
Can you perform Network Pharmacology analysis?
Yes, I provide network pharmacology including target prediction, protein–protein interaction (PPI) networks, enrichment analysis, and visualization.
Do you also provide publication-ready write-ups?
Absolutely! I deliver scientific writing with proper formatting, references, figures, and explanations, suitable for research articles, theses, or reports.
Which software/tools do you use?
I use industry-standard software such as AutoDock Vina, PyRx, GROMACS, Cytoscape, SwissADME, Gaussian, and others.
Can you fully customise your searvices according to my need?
Yes absolutely

