Display Settings:

Format

Send to:

Choose Destination

    IEEE/ACM Trans Comput Biol Bioinform. 2008 Oct-Dec;5(4):484-91.

    Improving strand pairing prediction through exploring folding cooperativity.

    Jeong J, Berman P, Przytycka TM.

    Department of Computer Science and Engineering, Pennsylvania State University, University Park, PA 16802, USA.

    The topology of beta-sheets is defined by the pattern of hydrogen-bonded strand pairing. Therefore, predicting hydrogen bonded strand partners is a fundamental step towards predicting beta-sheet topology. At the same time, finding the correct partners is very difficult due to long range interactions involved in strand pairing. Additionally, patterns of amino acids involved, in beta-sheet formations are very general and therefore difficult to use for computational recognition of specific contacts between strands. In this work, we report a new strand pairing algorithm. To address above mentioned difficulties, our algorithm attempts to mimic elements of the folding process. Namely, in addition to ensuring that the predicted hydrogen bonded strand pairs satisfy basic global consistency constraints, it takes into account hypothetical folding pathways. Consistently with this view, introducing hydrogen bonds between a pair of strands changes the probabilities of forming hydrogen bonds between other pairs of strand. We demonstrate that this approach provides an improvement over previously proposed algorithms. We also compare the performance of this method to that of a global optimization algorithm that poses the problem as integer linear programming optimization problem and solves it using ILOG CPLEX package.

    PMID: 18989036 [PubMed - indexed for MEDLINE]

    PMCID: PMC2597093

    Supplemental Content

    Click here to read Click here to read Click here to read Click here to read Click here to read