Recent Announcements

  • Presentation at the Vertex Free Energy Workshop This Free Energy Workshop has been held at Vertex's headquarters in Boston last May. It attracts the best practitioners in the area of free energy modeling for biological and ...
    Posted Jun 9, 2016, 12:04 PM by Emilio Gallicchio
  • Presentation on Software & Hardware Technologies at the Spring ACS Meeting in San Diego We recently summarized recent progress on software & hardware technologies to study binding processes at the ACS Meeting in San Diego. The pdf of the presentation is below.
    Posted Mar 17, 2016, 3:20 PM by Emilio Gallicchio
  • SAMPL5 Blinded Challenge We recently participated in the SAMPL5 Host-Guest binding blinded challenge. It was an interesting experience and the results are reassuring that our model is physically reasonable. In this edition ...
    Posted Mar 17, 2016, 3:00 PM by Emilio Gallicchio
  • Software Development Research Positions Available Two paid research positions for undergraduate students are available in the Computational Molecular Biophysics Laboratory to contribute to a software development project in the area of scientific computing. The positions ...
    Posted Feb 20, 2016, 7:43 AM by Emilio Gallicchio
Showing posts 1 - 4 of 32. View more »

 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

Support from the National Science Foundation is gratefully acknowledged