Recent Announcements

  • 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
  • Daniele Di Marino on the Dimerization of GPCR's Dr. Daniele Di Marino (USI, Università della Svizzera Italiana, Switzerland) speaks at Brooklyn College about the dimerization of GPCR receptors:Department of Chemistry SeminarFriday, February 19th, 20162:30pm ...
    Posted Feb 20, 2016, 7:26 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
 

Support from the National Science Foundation is gratefully acknowledged