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Automatic prediction of protein interactions with large scale motion

  1. Author:
    Schneidman-Duhovny, D.
    Nussinov, R.
    Wolfson, H. J.

  2. Author Address

    Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Comp Sci, IL-69978 Tel Aviv, Israel. SAIC Frederick Inc, NCI Frederick, Ctr Canc Res Nanobiol Program, Basic Res Programs, Ft Detrick, MD 21702 USA. Tel Aviv Univ, Sackler Fac Med, Dept Human Genet & Mol Med, IL-69978 Tel Aviv, Israel.;Schneidman-Duhovny, D, Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Comp Sci, IL-69978 Tel Aviv, Israel.;duhovka@post.tau.ac.il wolfson@post.tau.ac.il
    1. Year: 2007
    2. Date: Dec
  2. Journal: Proteins-Structure Function and Bioinformatics
    1. 69
    2. 4
    3. Pages: 764-773
  4. Type of Article: Article
  5. ISSN: 0887-3585
  1. Abstract:

    Proteins often change their conformation upon binding to other molecules. Taking these conformational changes into account in docking is an extremely difficult task: the larger the scale of the motion the harder it is to predict the structure of the association complex. Here, we present a fully automated method for flexible docking with large scale motion in one of the docked molecules. The method automatically identifies hinge regions and rigid parts and then docks the input molecules while explicitly considering the hinges and possible protein motions.

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External Sources

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  2. DOI: 10.1002/prot.21759
  3. View record in Web of Science®
  4. WOS: 000251272500010

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