BBK* (Branch and Bound over K*): A Provable and Efficient Ensemble-Based Algorithm to Optimize Stability and Binding Affinity over Large Sequence Spaces†
PDF of Paper
and Supporting Material
Proceedings of the 21st Annual International Conference on
Research in Computational Molecular (RECOMB), Hong Kong
Adegoke A. Ojewole‡
Department of Computer Science, Duke
University,
Department of Computational Biology and Bioinformatics, Duke University,
Durham, NC 27708, USA
Jonathan D. Jou‡
Department of Computer Science, Duke University,
Durham, NC 27708, USA
Vance Fowler
Duke University Medical Center, Duke University,
Durham, NC 27708, USA
Bruce R. Donald*
Department of Computer Science, Duke
University,
Department of Biochemistry, Duke University Medical
Center,
Department of Computational Biology and Bioinformatics, Duke University,
Durham, NC 27708, USA
‡These authors contributed equally to the work.
*Corresponding author
†This work is supported by the following grant from the National Science Foundation: GRFP DGF 1106401 to AAO, and the following grants from the National Institutes of Health: 2R01-GM-78031-05 to B.R.D. and R01-HL119648 to V.G.F.