Services
Services are offered by Yassir Boulaamane.
I take on a limited number of computational projects for researchers, students and small biotech teams. The same workflows taught on this site, run on your system, with clean outputs and a methods write-up you can adapt.
Orders, messages and payments are handled through Fiverr, which protects both sides. The button opens my public Fiverr profile in a new tab.
What I can help with
Molecular docking
Receptor and ligand preparation (protonation, tautomers), box definition, AutoDock Vina docking or virtual screening, redocking validation (RMSD), and interaction analysis with figures.
Molecular dynamics (GROMACS)
Protein or protein–ligand MD: topology (CHARMM36/CGenFF or AMBER/GAFF), solvation, EM/NVT/NPT equilibration, production runs, and RMSD/RMSF/Rg/H-bond analysis with publication-quality plots.
Binding free energy (MM-PBSA/GBSA)
gmx_MMPBSA on your trajectories: per-residue decomposition and a clear write-up of what the numbers can and cannot tell you.
ADMET & drug-likeness
Physicochemical profiling, rule-based filters and in-silico ADMET predictions, with honest caveats.
Troubleshooting & review
Your simulation crashes, or a reviewer questions your methods? I diagnose the problem, fix inputs and help you write a methods section that holds up.
What to send when you get in touch
- Target protein (PDB ID or UniProt ID) and ligand(s) (SMILES or SDF)
- What you want to show: binding mode, stability, ranking, or a free energy estimate
- Any existing inputs or error messages
- Your deadline and whether this is for a thesis, a paper or internal work
Scope and ethics
All work is computational and for research purposes. I do not provide medical advice. I don't write theses or papers on your behalf. You receive the inputs, outputs, scripts and an explanation, so that you understand and can defend what was done.