Research Interests for Bruce R. Donald

Research Interests:

Computational Biology, Computational Chemistry, Structural Biology, Biochemistry, Protein Design, Drug Design, NMR of Biological Macromolecules, Microelectromechanical Systems (MEMS), Micro-robotics, Geometric Algorithms

Recent Publications
  1. Jou, JD; Holt, GT; Lowegard, AU; Donald, BR, Minimization-Aware Recursive K ∗ (MARK ∗ ): A Novel, Provable Algorithm that Accelerates Ensemble-Based Protein Design and Provably Approximates the Energy Landscape, Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), vol. 11467 LNBI (January, 2019), pp. 101-119, ISBN 9783030170820 [doi] [abs]
  2. Hallen, MA; Martin, JW; Ojewole, A; Jou, JD; Lowegard, AU; Frenkel, MS; Gainza, P; Nisonoff, HM; Mukund, A; Wang, S; Holt, GT; Zhou, D; Dowd, E; Donald, BR, OSPREY 3.0: Open-source protein redesign for you, with powerful new features., Journal of Computational Chemistry, vol. 39 no. 30 (November, 2018), pp. 2494-2507 [doi] [abs]
  3. Qi, Y; Martin, JW; Barb, AW; Thélot, F; Yan, AK; Donald, BR; Oas, TG, Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics., Journal of Molecular Biology, vol. 430 no. 18 Pt B (September, 2018), pp. 3412-3426 [doi] [abs]
  4. Ojewole, AA; Jou, JD; Fowler, VG; Donald, BR, BBK* (Branch and Bound Over K*): A Provable and Efficient Ensemble-Based Protein Design Algorithm to Optimize Stability and Binding Affinity Over Large Sequence Spaces., Journal of Computational Biology : a Journal of Computational Molecular Cell Biology, vol. 25 no. 7 (July, 2018), pp. 726-739 [doi] [abs]
  5. Lavor, C; Liberti, L; Donald, B; Worley, B; Bardiaux, B; Malliavin, TE; Nilges, M, Minimal NMR distance information for rigidity of protein graphs, Discrete Applied Mathematics (April, 2018) [doi] [abs]