I will perform molecular docking, MD simulation, and admet analysis

Hi there,

I'm a researcher specializing in bioinformatics and computational chemistry. If you need molecular docking, molecular dynamics (MD) simulations, or ADMET profiling for your research project, thesis, or paper, I can help you set it up and run it.

I run simulations using high-performance cloud GPUs (mainly GROMACS and AutoDock Vina) to deliver fast and accurate results.

What I can help with:

Molecular Docking: Protein-ligand docking (AutoDock Vina, PyRx), site-specific or blind docking, virtual screening, and pose visualization (PyMOL/Discovery Studio).

MD Simulations: System setup, equilibration, and production runs (10ns to 100ns+) in GROMACS or NAMD. I'll analyze RMSD, RMSF, Rg, SASA, hydrogen bonds, and MM-PBSA binding energy.

ADMET & Drug-likeness: SwissADME/pkCSM profiling and Lipinski's Rule of Five filters.

Homology Modeling: 3D protein structure modeling (SWISS-MODEL/Modeller) and validation.

What you'll receive:

A clean, professional results report with publication-ready figures.

All raw output files (.pdbqt, .gro, .xtc, .xvg, etc.) for your records.

A written methodology section that you can easily format for your paper or thesis.