Hidemi Nagao

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A novel nonvolatile memory utilizing spin torque transfer magnetization switching (STS), abbreviated Spin-RAM hereafter, is presented for the first time. The Spin-RAM is programmed by magnetization reversal through an interaction of a spin momentum-torque-transferred current and a magnetic moment of memory layers in magnetic tunnel junctions (MTJs), and(More)
UDP-Glucuronosyltransferases (UGTs) are predominant drug metabolizing enzymes in the liver and extrahepatic tissues. Human UGT1A9 is uniquely stable against heat treatment. To understand the unique properties of UGT1A9, the three-dimensional structure was constructed by homology modeling using a crystal structure of TDP-epi-vancosaminyltransferase as(More)
We present a DFT study for the adsorption of single Pt atom and Pt clusters on graphene surface and carbon nanotube. Adsorption of a Pt atom shows a heavy dependence of binding energy on the graphene curvature. The adsorbed Pt atoms tend to form clusters, than to disperse on the graphene surface. The Pt–Pt bond length and the charge transfer from Pt(More)
Arginine-rich peptide and Antennapedia are cell-penetrating peptides (CPPs) which have the ability to permeate plasma membrane. Deformation of the plasma membrane with CPPs is the key to understand permeation mechanism. We investigate the dynamics of CPP and the lipid bilayer membrane by coarse-grained simulation. We found that the peptide makes inverted(More)
Our new molecular dynamics (MD) simulation program, MODYLAS, is a general-purpose program appropriate for very large physical, chemical, and biological systems. It is equipped with most standard MD techniques. Long-range forces are evaluated rigorously by the fast multipole method (FMM) without using the fast Fourier transform (FFT). Several new methods(More)
The carbonyl carbon NMR signals of the Phe residues in Streptomyces subtilisin inhibitor (SSI) were selectively observed for [F]SSI, in which all phenylalanines were uniformly labeled with [1-13C]Phe. The three enhanced resonances in the spectrum of [F]SSI were unambiguously assigned to the specific sites in the amino acid sequence by means of 15N,13C(More)
The electronic and geometric structures of the copper-binding site in a fully solvated azurin were investigated using quantum mechanics (QM) and molecular mechanics (MM) hybrid calculations. Two types of computational models were applied to evaluate the effects of the environment surrounding the active site. In model I, long-distance electrostatic(More)
We have studied the ζ-phase of solid oxygen with using the generalized gradient approximation in the density functional approach. The calculations of total energies and pressures have been carried out for the prototype of diatomic ζ-phase and other hypothetical monoatomic crystal structures. The diatomic phase was found to be stable in a wide range of(More)
Blue copper proteins are categorized into three types (type1, type2, and type3) by their structures and functions. Azurin is one of the type 1 blue copper protein. The structure consists of eight β strands and an α helix with 128 residues. Azurin has the functionality of electron transfer because of their prominent reactivity. The active site of azurin(More)
We have studied the ζ-phase of solid oxygen using the generalized gradient approximation in the density functional approach. Calculations of total energies and pressures have been carried out for the prototype of diatomic ζ-phase and other hypothetical monoatomic crystal structures. The diatomic phase was found to be stable over a wide range of pressure(More)