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Home  /  Research  /  Topics

Topics


    • Anti-Nsp15 compounds
      March 2022Tran et al. Sci. Rep.

      Anti-Nsp15 compounds against SARS-CoV-2 were identified.

      RNA structure model bound Nsp15 was also constructed.

    • A2a Activation
      March 2021Huang et al. Cell

      Conformational Equilibria in GPCRs provides critical clues about activation mechanisms.

          
    • MDM2/TAD-p53
      March 2019Tran and Kitao, J. Phys. Chem. B

      Dissociation Process of a MDM2/p53 Complex Investigated by Parallel Cascade Selection Molecular Dynamics and the Markov State Model

    • (6-4)PHR
      July 2017Dokainish et al., ACS Catal.

      Electron fate and mutational robustness in the mechanism of (6-4) photolyase-mediated DNA repair

    • MotAB
      July 2015Nishihara and Kitao, Proc. Natl. Acad. Sci. U.S.A.

      Gate-controlled proton diffusion and protonation-induced ratchet motion in the stator of the bacterial flagellar motor



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