Recent Announcements

  • Work on protein-peptide binding to appear in Protein Science A Unique Binding Mode of the Eukaryotic Translation Initiation Factor 4E for Guiding the Design of Novel Peptide InhibitorsDaniele Di Marino, Ilda D’Annessa, Holly Tancredi, Claudia Bagni, and ...
    Posted May 15, 2015, 2:32 PM by Emilio Gallicchio
  • AGBNP3 released The software implementation of the AGBNP3 implicit solvent model has been released on github. AGBNP3 is (mostly) an optimized version of the AGBNP2 model for many-core CPUs. See the ...
    Posted May 12, 2015, 6:56 AM by Emilio Gallicchio
  • WEB Lab Computing Grid @Brooklyn College Check out this post in the research area regarding Brooklyn College's computing grid science project. 
    Posted Apr 18, 2015, 7:48 PM by Emilio Gallicchio
  • Paper on Host-Guest Binding Appears in the Journal of Computer Aided Molecular Design The paper reports the results of a classroom-based computational experiment to predict binding affinity experimental measurements for a novel octa-acid host.Emilio Gallicchio, Haoyuan Chen, He Chen, Michael ...
    Posted Mar 6, 2015, 7:21 AM by Emilio Gallicchio
Showing posts 1 - 4 of 23. 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