recent publications

• academic article

  • Su, A. I., Lorber, D. M., Weston, G. S., Baase, W. A., Matthews, B. W., Shoichet, B. K. Docking molecules by families to increase the diversity of hits in database screens: Computational strategy and experimental evaluation Proteins-Structure Function and Bioinformatics  2001 42:279-293  DOI:10.1002/1097-0134(20010201)42:2<279::aid-prot150>3.0.co;2-u  PMID:11119652
  • Strynadka, N. C. J., Eisenstein, M., KatchalskiKatzir, E., Shoichet, B. K., Kuntz, I. D., Abagyan, R., Totrov, M., Janin, J., Cherfils, J., Zimmerman, F., Olson, A., Duncan, B., et al. Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase Nature Structural Biology  1996 3:233-239  DOI:10.1038/nsb0396-233  PMID:8605624