Computational Molecular Biophysics Laboratory

PI: Emilio Gallicchio

Main Research Activities

  • Protein conformational equilibria

  • Thermodynamics of protein-protein and protein-ligand binding

  • Statistical thermodynamics of protein folding and misfolding

  • Thermodynamics of solvation of biological macromolecules

  • Force field development and high resolution protein modeling

  • Modeling of hydrophobic solvation

  • Design of high performance computational chemistry algorithms

  • Parallel and distributed computing

The Interdisciplinary Computation & Modeling research Program for Undergraduate students (ICoMPUte)