I will professionally perform molecular docking, MD simulation, data analysis

Are you a graduate student, researcher, or thesis writer who needs computational chemistry work done accurately and explained clearly?

Welcome to my computational chemistry and in silico analysis service.

As a computational chemist with an M.Phil. research background and hands-on experience in DFT modeling, molecular docking, and molecular dynamics, I offer a complete workflow from structure preparation to simulation and data interpretation.

Services I Offer:

• Protein-ligand docking (AutoDock Vina)
• Ligand and protein/receptor preparation
• DFT calculations: geometry optimization, energy calculations, property analysis
• Molecular dynamics (MD) simulation setup and trajectory analysis
• Binding affinity and pose analysis
• Data cleaning, statistical analysis, and result interpretation
• Scientific/technical report writing (thesis chapters, papers, presentations)

Tools I Use:

Gaussian, GaussView, AutoDock Vina, PyMOL, Origin, ChemDraw, Excel, Python, SQL

Whether you're a graduate student needing simulation support for your thesis, a researcher validating computational results, or a team needing raw output turned into a clear, documented report, I provide accurate, well-organized results.