Bruce Randall Donald

Image of Bruce Randall Donald

James B. Duke Professor of Computer Science

Appointments and Affiliations
  • James B. Duke Professor of Computer Science
  • Professor of Computer Science
  • Professor of Biochemistry
  • Faculty Network Member of the Duke Institute for Brain Sciences
  • Professor in the Department of Chemistry
  • Bass Fellow
Contact Information:

  • Ph.D. Massachusetts Institute of Technology, 1987
  • B.A. Yale University, 1980

Research Interests:

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


Computational Biology
Artificial Intelligence

Awards, Honors, and Distinctions:

  • Fellows. Institute for Electrical and Electronics Engineers. 2011
  • Fellow. Association for Computing Machinery. 2009
  • Fellowship. John Simon Guggenheim Memorial Foundation. 2001

Courses Taught:
  • BIOCHEM 393: Research Independent Study
  • BIOCHEM 593: Research Independent Study
  • CBB 590: Special Topics in Computational Biology
  • CBB 663: Algorithms in Structural Biology and Biophysics
  • COMPSCI 230: Discrete Math for Computer Science
  • COMPSCI 393: Research Independent Study
  • COMPSCI 394: Research Independent Study
  • COMPSCI 590: Advanced Topics in Computer Science
  • COMPSCI 663: Algorithms in Structural Biology and Biophysics

Representative Publications: (More Publications)
    • Do Kwon, Y; Pancera, M; Acharya, P; Georgiev, IS; Crooks, ET; Gorman, J; Joyce, MG; Guttman, M; Ma, X; Narpala, S; Soto, C; Terry, DS; Yang, Y; Zhou, T; Ahlsen, G; Bailer, RT; Chambers, M; Chuang, GY; Doria-Rose, NA; Druz, A; Hallen, MA; Harned, A; Kirys, T; Louder, MK; O'Dell, S; Ofek, G; Osawa, K; Prabhakaran, M; Sastry, M; Stewart-Jones, GB; Stuckey, J; Thomas, PV; Tittley, T; Williams, C; Zhang, B; Zhao, H; Zhou, Z; Donald, BR; Lee, LK; Zolla-Pazner, S; Baxa, U; Schön, A; Freire, E; Shapiro, L; Lee, KK; Arthos, J; Munro, JB; Blanchard, SC; Mothes, W; Binley, JM; McDermott, AB; Mascola, JR; Kwong, PD, Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env., Nature Structural & Molecular Biology, vol 22 no. 7 (2015), pp. 522-531 [10.1038/nsmb.3051] [abs].
    • Roberts, KE; Donald, BR, Improved energy bound accuracy enhances the efficiency of continuous protein design., Proteins: Structure, Function and Bioinformatics, vol 83 no. 6 (2015), pp. 1151-1164 [10.1002/prot.24808] [abs].
    • Hallen, MA; Gainza, P; Donald, BR, Compact representation of continuous energy surfaces for more efficient protein design., Journal of Chemical Theory and Computation, vol 11 no. 5 (2015), pp. 2292-2306 [10.1021/ct501031m] [abs].
    • Martin, JW; Zhou, P; Donald, BR, Systematic solution to homo-oligomeric structures determined by NMR., Proteins: Structure, Function and Bioinformatics, vol 83 no. 4 (2015), pp. 651-661 [10.1002/prot.24768] [abs].
    • Reeve, SM; Gainza, P; Frey, KM; Georgiev, I; Donald, BR; Anderson, AC, Protein design algorithms predict viable resistance to an experimental antifolate., Proceedings of the National Academy of Sciences of USA, vol 112 no. 3 (2015), pp. 749-754 [10.1073/pnas.1411548112] [abs].