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  1. Article

    Open Access

    A prospective compound screening contest identified broader inhibitors for Sirtuin 1

    Potential inhibitors of a target biomolecule, NAD-dependent deacetylase Sirtuin 1, were identified by a contest-based approach, in which participants were asked to propose a prioritized list of 400 compounds f...

    Shuntaro Chiba, Masahito Ohue, Anastasiia Gryniukova, Petro Borysko in Scientific Reports (2019)

  2. Article

    Open Access

    An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes

    We propose a new iterative screening contest method to identify target protein inhibitors. After conducting a compound screening contest in 2014, we report results acquired from a contest held in 2015 in this ...

    Shuntaro Chiba, Takashi Ishida, Kazuyoshi Ikeda, Masahiro Mochizuki in Scientific Reports (2017)

  3. Article

    Open Access

    Autoimmune Responses to Soluble Aggregates of Amyloidogenic Proteins Involved in Neurodegenerative Diseases: Overlap** Aggregation Prone and Autoimmunogenic regions

    Why do patients suffering from neurodegenerative diseases generate autoantibodies that selectively bind soluble aggregates of amyloidogenic proteins? Presently, molecular basis of interactions between the solu...

    Sandeep Kumar, A. Mary Thangakani, R. Nagarajan, Satish K. Singh in Scientific Reports (2016)

  4. Article

    Open Access

    Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target

    A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecul...

    Shuntaro Chiba, Kazuyoshi Ikeda, Takashi Ishida, M. Michael Gromiha in Scientific Reports (2015)