I will analyze molecular dynamics trajectories and protein ligand contacts

I analyze existing molecular dynamics trajectories and return clear figures and the numerical data behind them.

Basic covers one supplied system up to 100 ns: matching-file checks, protein and ligand RMSD, residue RMSF, editable CSV tables, figures, analysis scripts and a README recording selections, reference and time window.

Please supply matching trajectory, topology and structure files, a system description and your research question. Contact persistence, pocket distances and multi-system comparisons are scoped separately.

For a new protein-small-molecule simulation, send the protein or gene ID, species and compound name or SMILES. Structure preparation, parameter selection, a 10 ns pilot and longer cloud runs can be quoted separately after checking the system and compute needs.

Message me before ordering to confirm file compatibility and scope. Written communication is welcome. I use AI-assisted coding and check the code and outputs; tell me your data-handling restrictions before sharing files.