Recent Announcements

  • 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
  • Publication on binding free energy study of RNase H inhibitors Our collaboration with the group of Ryan Murelli here at Brooklyn College, and John A Beutler and Stuart F Le Grice at NCI, aimed at identifying  α-hydroxytropolones derivatives ...
    Posted Sep 18, 2016, 8:25 AM by Emilio Gallicchio
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 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