Robotic path planning and protein complex modeling considering low frequency intra-molecular loop and domain motions.

Carlos A. Del Carpio, Pei Qiang, Eiichiro Ichiishi, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

    Research output: Contribution to journalArticlepeer-review

    Abstract

    A novel algorithm is introduced to deal with intra-molecular motions of loops and domains that undergo proteins at interaction with other proteins. The methodology is based on complex energy landscape sampling and robotic motion planning. Mapping high flexibility regions on the protein underlies the proposed algorithm. This is the first time this type of research has been reported. Application of the methodology to several protein complexes where remarkable backbone rearrangement is observed shows that the new algorithm is able to deal with the problem of change of backbone conformation at protein interaction. We have implemented the module within the system MIAX (Macromolecular interaction assessment computer system) and together with our already reported soft and flexible docking algorithms we have developed a powerful tool for protein function analysis as part of wide genome function evaluation.

    Original languageEnglish
    Pages (from-to)270-278
    Number of pages9
    JournalGenome informatics. International Conference on Genome Informatics
    Volume17
    Issue number2
    Publication statusPublished - Jan 1 2006

    All Science Journal Classification (ASJC) codes

    • Medicine(all)

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