I will deliver docking, ligand screening, MD simulation

I will perform complete proteinligand complex analysis using molecular docking and molecular dynamics simulations, including trajectory stability assessment through RMSD, RMSF, radius of gyration, PCA, and salt bridge analysis. I also provide interaction profiling with hydrogen bonds, residue-level contacts, and MM/PBSA binding free energy estimation. The study will reveal binding strength, structural stability, key interaction residues, and conformational behavior over time, with clear plots, visualizations, and a concise research-style report suitable for publication, thesis work, or project interpretation.