I will do computational chemistry projects, molecular docking and dft studies

Are you looking for high-quality computational chemistry support for your research projects? I offer professional Density Functional Theory (DFT) calculations and molecular docking studies tailored to your needs.

With experience in quantum chemistry, computational drug design, and structureactivity analysis, I can help you generate reliable insights for publications, theses, or industry projects.

Services I provide:

• DFT Calculations
• Geometry optimization
• HOMOLUMO gap analysis
• Frontier molecular orbital mapping
• Thermodynamic and spectroscopic properties (IR, NMR, UVVis)
• Population and charge distribution analysis
• Molecular Docking Studies
• Proteinligand docking using AutoDock, PyRx, or similar tools
• Binding affinity estimation (ΔG, docking scores)
• Hydrogen bonding and non-covalent interaction analysis
• Visualizations of docking poses and interaction maps
• Reports and Outputs
• Clear, publication-ready graphs, tables, and figures
• Detailed methodological description for academic writing
• Supporting files (output logs, docking results, input structures)