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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
Hat bestimmte Leistungskriterien erfüllt und zeigt großes Potenzial auf dem Marktplatz.
Über diesen Service
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.
Art der Dienstleistung:
Recherche
Sprache:
Englisch
Bevorzugte Lieferart
Bitte informiere den Freelancer über alle Präferenzen oder Bedenken in Bezug auf den Einsatz von KI-Tools bei der Ausführung und/oder Lieferung deines Auftrags.
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Verkäufer zu bitten, in deinem Namen Hausaufgaben/akademische Arbeiten anzufertigen, verstößt gegen Fiverrs Community-Standard und kann zur Deaktivierung deines Kontos führen.
Mein 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
