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  1. Article

    Open Access

    Spatial chemical distance based on atomic property fields

    Similarity of compound chemical structures often leads to close pharmacological profiles, including binding to the same protein targets. The opposite, however, is not always true, as distinct chemical scaffold...

    A. V. Grigoryan, I. Kufareva, M. Totrov in Journal of Computer-Aided Molecular Design (2010)

  2. Article

    Open Access

    P12-13. Structure-guided design and immunological characterization of immunogen constructs presenting the HIV-1 gp120 V3 loop on a CTB scaffold

    M Totrov, X Jiang, X Kong, S Cohen, C Krachmarov, C Williams, T Cardozo in Retrovirology (2009)

  3. Article

    Open Access

    P04-42. Molecular design of a mimotope that preserves conserved structural elements of the HIV-1 V3 crown

    X Jiang, M Totrov, J Sampson, C Williams, MK Gorny, S Zollla-Pazner in Retrovirology (2009)

  4. Article

    Open Access

    P04-09. Induction of cross-clade neutralizing antibodies with a prime/boost vaccine strategy focused on a neutralizing epitope

    S Zolla-Pazner, X Kong, T Cardozo, C Hioe, S Cohen, X Jiang, MK Gorny in Retrovirology (2009)

  5. No Access

    Article

    Molecular docking programs successfully predict the binding of a β-lactamase inhibitory protein to TEM-1 β-lactamase

    Crystallization of the 1:1 molecular complex between the β-lactamase TEM-1 and the β-lactamase inhibitory protein BLIP has provided an opportunity to put a stringent test on current protein-docking algorithms....

    N.C.J. Strynadka, M. Eisenstein, E. Katchalski-Katzir in Nature Structural Biology (1996)