Recent Announcements

  • Release of the AGBNP1 OpenMM Plugin for GPUs The AGBNP (Analytic Generalized Born plus Non-Polar) implicit solvent model is our main solvation force field for alchemical binding free energy calculations. Following the development of the GaussVol algorithm ...
    Posted Oct 27, 2017, 11:46 AM by Emilio Gallicchio
  • Prof. Emilio Gallicchio presents at the Henry Wasser Award ceremony..!! Prof. Emilio Gallicchio, the recipient of the Henry Wasser Award from CUNY will be presenting at the award ceremony at the CUNY Graduate Center, NY on Friday, October 20, 2017 ...
    Posted Oct 23, 2017, 11:29 AM by Rajat Kumar Pal
  • 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
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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