Bug-to-Drug® publications

(See my bibliography for a complete list of my publications.)

The Bug-to-Drug® Engineered Identification and Countermeasures Program of the Sarnoff Corporation sought inhibitors to engineered biowarfare pathogens for the U.S. Army Medical Research and Materiel Command. My work on this program was focused on the de novo design of small-molecule inhibitors. The early work was based, in part, on methods licensed by Sarnoff to Locus Pharmaceuticals, Inc. Some of these are covered by the following patent:

• F. Guarnieri,
  Computational Protein Probing to Identify Binding Sites,
  U.S. Patent No. 6,735,530, May 11, 2004.

Here are the publications describing our work on the Bug-to-to Drug® program:

• C. F. F. Karney and J. E. Ferrara,
  Design of Small-Molecule Inhibitors for the Bug to Drug™ Program,
  Conference on Structure-Based Drug Design, Cambridge, MA, April 28–29, 2003.
• C. F. F. Karney, J. E. Ferrara, and S. Brunner,
  Method for Computing Protein Binding Affinity,
  228th National Meeting of the American Chemical Society, Philadelphia, PA, August 22–26, 2004, paper COMP 160.
• C. F. F. Karney, J. E. Ferrara, and S. Brunner,
  Method for Computing Protein Binding Affinity,
  J. Comput. Chem. 26(3), 243–251 (Feb. 2005), errata;
  E-print: arXiv:cond-mat/0401348;
  Abstract: http://charles.karney.info/biblio/wh.html.
• C. F. F. Karney.
  Quaternions in molecular modeling.
  J. Mol. Graph. Mod., to appear (2006);
  E-print: arXiv:physics/0506177;
  Abstract: http://charles.karney.info/biblio/quat.html.