The Center for Computational Life Sciences and Biology, directed by Dr. Ron Elber, resides in the Institute for Computational Engineering and Sciences (ICES) at The University of Texas at Austin. We are located in the ACES building at 201 E. 24th Street, Austin Texas. (map)
Our research is theoretical and computational. We study structure, dynamics, thermodynamics and kinetics of proteins, poly-nucleotides, and membranes and their aqueous solution. Frequently we study these bio-macromolecules in atomic details, but we also investigate these systems at multiple spatial and temporal scales.
|We develop the theory and algorithms to study reaction paths in
biomolecules, and we implement the algorithms in our program MOIL. The
code was used (for example) to investigate the recovery stroke in
myosin. Since the calculations are highly demanding, we also develop
optimized parallel, and GPU-based software, all source codes are freely
On the Structural Bioinformatics front we develop algorithms to predict protein structures using homolgoy modeling. We are at the front of developing machine learning algorithms to learn scoring functions. We introduced an enhanced version of SVM for that purpose. These efforts are summarized in our server LOOPP.
We also model the structure of protein complexes by looking at mode of interactions of pairs of proteins using similar learning techniques. We have a server for that purpose too called DOCK-PIE
|Conformational changes during the recovery
stroke of Myosin