Core expertise

• Molecular dynamics & pathway mapping with NEB
• Docking campaigns with pocket discovery via sphgen
• Protein–surface interaction studies and hydrophobic clustering
• Forcefield generation, system prep, and MARTINI coarse-graining
• Interpretable ML for feature importance in binding behavior
• Reproducible analysis, clean figures, and publication-ready reports

Who benefits

• Biotech & pharma discovery teams
• Academic labs needing extra compute bandwidth
• Materials & surface engineering groups
• Startups needing fast, rigorous prototypes