Sakurai M - Search Results

1

ATP Hydrolysis Mechanism in a Maltose Transporter Explored by QM/MM Metadynamics Simulation.

Hsu WL, Furuta T, Sakurai M. Hsu WL, et al. Among authors: sakurai m. J Phys Chem B. 2016 Nov 3;120(43):11102-11112. doi: 10.1021/acs.jpcb.6b07332. Epub 2016 Oct 21. J Phys Chem B. 2016. PMID: 27712074

2

The power stroke driven by ATP binding in CFTR as studied by molecular dynamics simulations.

Furukawa-Hagiya T, Furuta T, Chiba S, Sohma Y, Sakurai M. Furukawa-Hagiya T, et al. Among authors: sakurai m. J Phys Chem B. 2013 Jan 10;117(1):83-93. doi: 10.1021/jp308315w. Epub 2012 Dec 19. J Phys Chem B. 2013. PMID: 23214920

3

Analysis of the structural and functional roles of coupling helices in the ATP-binding cassette transporter MsbA through enzyme assays and molecular dynamics simulations.

Furuta T, Yamaguchi T, Kato H, Sakurai M. Furuta T, et al. Among authors: sakurai m. Biochemistry. 2014 Jul 8;53(26):4261-72. doi: 10.1021/bi500255j. Epub 2014 Jun 25. Biochemistry. 2014. PMID: 24937232

4

ATP-induced conformational changes of nucleotide-binding domains in an ABC transporter. Importance of the water-mediated entropic force.

Hayashi T, Chiba S, Kaneta Y, Furuta T, Sakurai M. Hayashi T, et al. Among authors: sakurai m. J Phys Chem B. 2014 Nov 6;118(44):12612-20. doi: 10.1021/jp507930e. Epub 2014 Oct 24. J Phys Chem B. 2014. PMID: 25302667

5

Analysis of the Free Energy Landscapes for the Opening-Closing Dynamics of the Maltose Transporter ATPase MalK2 Using Enhanced-Sampling Molecular Dynamics Simulation.

Hsu WL, Furuta T, Sakurai M. Hsu WL, et al. Among authors: sakurai m. J Phys Chem B. 2015 Jul 30;119(30):9717-25. doi: 10.1021/acs.jpcb.5b05432. Epub 2015 Jul 21. J Phys Chem B. 2015. PMID: 26158224

6

Structural Dynamics of the Heterodimeric ABC Transporter TM287/288 Induced by ATP and Substrate Binding.

Furuta T, Sato Y, Sakurai M. Furuta T, et al. Among authors: sakurai m. Biochemistry. 2016 Dec 6;55(48):6730-6738. doi: 10.1021/acs.biochem.6b00947. Epub 2016 Nov 28. Biochemistry. 2016. PMID: 27933796

7

The mechanism of nucleotide-binding domain dimerization in the intact maltose transporter as studied by all-atom molecular dynamics simulations.

Hsu WL, Furuta T, Sakurai M. Hsu WL, et al. Among authors: sakurai m. Proteins. 2018 Feb;86(2):237-247. doi: 10.1002/prot.25433. Epub 2017 Dec 11. Proteins. 2018. PMID: 29194754

8

Development of an ATP force field for coarse-grained simulation of ATPases and its application to the maltose transporter.

Hirano R, Yabuchi T, Sakurai M, Furuta T. Hirano R, et al. Among authors: sakurai m. J Comput Chem. 2019 Sep 15;40(24):2096-2102. doi: 10.1002/jcc.25861. Epub 2019 May 15. J Comput Chem. 2019. PMID: 31090948

9

A novel ring-shaped reaction pathway with interconvertible intermediates in chitinase A as revealed by QM/MM simulation combined with a one-dimensional projection technique.

Iino T, Sakurai M, Furuta T. Iino T, et al. Among authors: sakurai m. Phys Chem Chem Phys. 2019 Dec 7;21(45):24956-24966. doi: 10.1039/c9cp05163e. Epub 2019 Nov 8. Phys Chem Chem Phys. 2019. PMID: 31702756

10

Interaction of amphiphilic α-helical cell-penetrating peptides with heparan sulfate.

Yang J, Tsutsumi H, Furuta T, Sakurai M, Mihara H. Yang J, et al. Among authors: sakurai m. Org Biomol Chem. 2014 Jul 14;12(26):4673-81. doi: 10.1039/c4ob00673a. Org Biomol Chem. 2014. PMID: 24867193

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