I will conduct molecular docking gromacs MD simulation

I am a second-year Master student majoring in Chinese Materia Medica at Northwest University, supervised by Professor Wang Yonghua, the founder of the TCMSP database. With 2 years of lab research experience and 1.5 years of freelance academic service, I have completed more than 600 molecular simulation projects for graduate thesis and journal publication.

I provide full computational pharmacology services covering three core modules:

1. Molecular Docking: AutoDock Vina/4 protein-ligand docking, ligand & protein pretreatment, binding affinity ranking, 2D interaction diagrams and PyMOL 3D visualization.
2. GROMACS MD Simulation: 100ns trajectory simulation for protein-ligand, peptide and protein-protein systems, complete RMSD, RMSF, Rg, SASA and hydrogen bond analysis.
3. MM/PBSA Binding Free Energy: Residue energy decomposition, conformation snapshot extraction and quantitative binding capacity evaluation.

All packages deliver raw parameter files, editable high-resolution vector figures, sorted data tables and step-by-step operation guides. I offer unlimited text consultation and one free round of figure revision for every order. Full MD trajectory files are available for extra purchase.