Recent Announcements

  • NVIDIA Award! The Computers in Chemistry Division of the American Chemical Society awarded Prof. Emilio Gallicchio of Brooklyn College the NVIDIA GPU Best Poster Award at the 254th ACS National Meeting ...
    Posted Aug 24, 2017, 6:34 AM by Emilio Gallicchio
  • Professor Gallicchio is awarded the Henry Wasser Award from CUNY! Professor Gallicchio is the recipient of the 2017 Henry Wasser award from the CUNY Academy. This award is given to outstanding CUNY Assistant Professors by the CUNY Academy for the ...
    Posted Jul 6, 2017, 2:29 PM by Rajat Kumar Pal
  • Presentation on Analytic Model of Binding @CECAM I have had the opportunity to present our recent development of an analytic probabilistic model of alchemical binding at the "Beyond Kd's" CECAM conference organized by Sereina Riniker, Lyna ...
    Posted Jun 19, 2017, 2:44 PM by Emilio Gallicchio
  • A Novel Surface Area Algorithm for GPUs added to OpenMM After a year-long effort, we finally developed an efficient implementation of the Gaussian-based volume and surface area model for GPUs. The work, performed in collaboration with Peter Eastman ...
    Posted Jan 8, 2017, 9:30 AM by Emilio Gallicchio
Showing posts 1 - 4 of 41. 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