An Excellent Review of Protein Docking

25 Feb

As a result of work we are doing over on ChemSpider regarding LASSO I have become increasingly interest in the world of protein docking.  A great review article was just released. I highly recommend it if this is an area of interest for you.

Protein-ligand Docking: A Review of Recent Advances and Future Perspectives

Current Pharmaceutical Analysis, Volume 4, Number 1, February 2008, ISSN: 1573-4129

Montserrat Vaqué, Anna Ardévol, Cinta Bladé, M. Josepa Salvadó, Mayte Blay, Juan Fernández-Larrea, Lluís Arola and Gerard Pujadas

Understanding the interactions between proteins and ligands is crucial for the pharmaceutical and functional food industries. The experimental structures of these protein/ligand complexes are usually obtained, under highly expert control, by time-consuming techniques such as X-ray crystallography or NMR. These techniques are therefore not suitable for routinely screening the possible interaction between one receptor and thousands of ligands. To overcome this limitation, computational algorithms (i.e. docking algorithms) have been developed that use the individual structures of the receptor and ligand to predict the structure of their complex. The present review, then, summarizes: (a) the fundamentals of the algorithms of the most commontly used docking programmes (with particular emphasis on their strengths and limitations); (b) how the results from different docking algorithms compare (i.e. which software gives the best predictions); and (c) the future perspectives and challenges for docking techniques.


Posted by on February 25, 2008 in Uncategorized


4 Responses to An Excellent Review of Protein Docking

  1. ferllich

    April 2, 2008 at 1:44 am

    Hi,I’m very interested in this review.Could you please send me a copy of this paper?My e-mail
    Thank you very much

  2. tony

    April 28, 2008 at 8:19 am

    I am afraid I don’t have the right to send you a copy of the article as it is not an Open Access article.

  3. ricardo

    December 17, 2010 at 11:20 am

    Hi,I’m very interested in this review.Could you please send me a copy of this paper?My e-mail
    Thank you very much

  4. sahil

    June 24, 2011 at 11:49 am

    all your problems regarding protein structures will be solved and moreover free high quality protein structures are also available there for free.


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