Recent Announcements

  • Kevin Ryan (CUNY City College) on how we smell ... molecules Professor Kevin Ryan speaks today (12/4/2015) at Brooklyn College about the molecular recognition abilities of protein receptors in our nose to give us the sense of smell. Please ...
    Posted Dec 4, 2015, 7:28 AM by Emilio Gallicchio
  • IBM World Community Grid adopts BEDAM The FightAIDS@Home project running on IBM's World Community Grid adopts the Binding Energy Distribution Analysis Method (BEDAM). Now thousands of computers around the world are working together using ...
    Posted Oct 15, 2015, 7:29 PM by Emilio Gallicchio
  • The 2015 OpenMM/AGBNP/BEDAM Mini-Summit We have recently visited Vijay Pande's lab at the SimTk Institute at Stanford University to brain storm on the porting of our BEDAM and AGBNP models to GPU's ...
    Posted Jul 19, 2015, 2:56 PM by Emilio Gallicchio
  • Flurry of Papers When it rains it pours! Three papers of ours have been just accepted for publication. Emilio Gallicchio, Junchao Xia, William F Flynn, Baofeng Zhang, Sade Samlalsingh, Ahmet Mentes, Ronald M ...
    Posted Jun 14, 2015, 8:28 PM by Emilio Gallicchio
Showing posts 1 - 4 of 27. 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