Donald J. Jacobs, Ph.D.

CBES Area of Interest:

My research centers on biophysical modeling involving development of algorithms for computational biology applications. My main activity is funded by the National Institutes of Health to develop “FAST” software that provides a Flexibility and Stability Test for proteins with known three-dimensional structure to predict their thermodynamic and mechanical properties within a cellular environment. Our FAST predictions reveal Quantitative Stability/Flexibility Relationships (QSFR). A QSFR database augmented with bioinformatics and statistical analysis tools is being developed. Through FAST/QSFR we can obtain improved descriptions of protein structure/function relationships, protein-substrate association and the protein folding/unfolding process. Our methods will facilitate novel homology modeling schemes, better sequence and structural alignment tools, and prediction of protein oligomerization states and their associated changes in stability and flexibility. Together, our FAST software and QSFR database will support myriad biologically significant applications in pharmacology and rational protein design including engineering of highly stable enzyme catalysts for industrial purposes.

CBES Area of Expertise:

Biophysical modeling involving development of algorithms for computational biology applications.