I will perform molecular docking and molecular dynamics

Are you conducting research in drug discovery, enzyme inhibition, or proteinligand interaction analysis?

I provide professional molecular docking services combined with basic Molecular Dynamics (MD) simulation up to 1 nanosecond (1 ns) to evaluate the stability of docked complexes. My workflow follows standard computational drug discovery protocols suitable for academic and research purposes.

Molecular Docking Services:

• Protein and ligand preparation
• Active site identification and grid box optimization
• Docking using AutoDock Vina
• Binding affinity
• 3D interaction visualization
• High-resolution, publication-quality images

Basic Molecular Dynamics Simulation (Up to 1 ns):

To further validate docking results, I provide preliminary MD stability analysis, including:

• System preparation and solvation
• Energy minimization
• Equilibration (NVT/NPT)
• Production run up to 1 ns
• RMSD
• RMSF
• Hydrogen bond analysis
• Clear graphs and plots ready for reports or publications

Ideal For

• BS / MS / PhD research projects
• Thesis or dissertation support
• Journal publication preparation
• Computational drug discovery studie

Please contact me before placing an order to discuss your project.

Thanks for Visiting.