5 research outputs found

    Parameter selection of pocket extraction algorithm using interaction interface

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    Pockets in proteins have been known to be very important for the life process. There have been several studies in the past to automatically extract the pockets from the structure information of known proteins. However, it is difficult to find a study comparing the precision of the extracted pockets from known pockets on the protein. We propose an algorithm for extracting pockets from structure data of proteins and analyze the quality of the algorithm by comparing the extracted pockets with some known pockets. These results can be used to set the parameter values of the pocket extraction algorithm for getting better resultsclose

    Revisiting ligand-induced conformational changes in proteins: essence, advancements, implications and future challenges

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