Norio Yoshida 교수

Recent progress in the theory of molecular recognition in biomolecules is reviewed, which has been made based on the statistical mechanics of liquids or the RISM/3D-RISM theory during the last five years in the authors' group. The method requires just the structure of protein and the potential energy parameters for the biomolecules and solutions as inputs. The calculation is carried out in two steps. The first step is to obtain the pair correlation functions for solutions consisting of water and

Cations (Ca2+, Na+, K+) selectively bound by human lysozyme and its mutants are probed by the 3D-RISM theory, a statistical mechanics theory of liquids.

The three-dimensional reference interaction site model integral equation theory (3D-RISM) combined with the ab initio molecular orbital method (3D-RISM-SCF) is applied to a solvated macromolecular system. The solvation structure around a solute molecule is obtained from the 3D-RISM integral equation under the electrostatic potential of the solute molecule, calculated by the ab initio molecular orbital theory. The electrostatic potential should be calculated on each grid point in the three-dimens

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSubstrate specificity of two chymotrypsin-like proteases from rat mast cells. Studies with peptide 4-nitroanilides and comparison with cathepsin GNorio Yoshida, Michael T. Everitt, Hans Neurath, Richard G. Woodbury, and James C. PowersCite this: Biochemistry 1980, 19, 25, 5799–5804Publication Date (Print):December 9, 1980Publication History Published online1 May 2002Published inissue 9 December 1980https://pubs.acs.org/doi/10.1021/bi00566a021https://do

A protease was purified 163-fold from Pronase, a commercial product from culture filtrate of Streptomyces griseus, by a series of column chromatographies on CM-Toyopearl (Fractogel), Sephadex G-50, hydroxyapatite, and Z-Gly-D-Phe-AH-Sepharose 4B using Boc-Ala-Ala-Pro-Glu-pNA as a substrate. The final preparation was homogeneous by polyacrylamide gel electrophoresis (PAGE), sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), and gel isoelectric focusing. Studies on the substrate

Selective ion binding by human lysozyme and its mutants is probed with the three-dimensional interaction site model theory which is the statistical mechanical integral equation theory. Preliminary and partial results of the study have been already published (Yoshida, N. et al. J. Am. Chem. Soc. 2006, 128, 12042-12043). The calculation was carried out for aqueous solutions of three different electrolytes, CaCl2, NaCl, and KCl, and for four different mutants of the human lysozyme: wild type, Q86D,

Nodal Oscillation of Linear Elliptic Equations Oscillation of Elliptic Equations with or without Functional Arguments Oscillation of Parabolic Equations with or without Functional Arguments Oscillation of Hyperbolic Equations with or without Functional Arguments Oscillation of Beam Equations Picone Identity Picone-Type Inequality Riccati Method.Readership: Graduate students and specialists in the field of differential equations, and physicists interested in differential equations.

This is the first evidence showing that IDO overexpression in human cancer cells contributes to tumor progression in vivo with suppression of NK cells. Our data suggest that targeting IDO may be a novel therapeutic strategy for endometrial cancer.

On etablit un critere d'oscillation pour les equations paraboliques non lineaires: u t =a(t)Δu-q(x,t)f(u(x,σ(H)), (x,t)∈Ω×R + , u t =a(t)Δu+q(x,t)f(u(x,τ(H)), (x,t)∈Ω×R + , ou Δ est le laplacien de R n , R + =[0,∞] et Ω est un domaine borne de R n a frontiere lisse par morceaux ∂Ω

Recent developments and applications in theoretical methods focusing on drug design and particularly on the solvent effect in molecular recognition based on the three-dimensional reference interaction site model (3D-RISM) theory are reviewed. Molecular recognition, a fundamental molecular process in living systems, is known to be the functional mechanism of most drugs. Solvents play an essential role in molecular recognition processes as well as in ligand-protein interactions. The 3D-RISM theory

A new approach to ab initio electronic structure calculations of solute molecules in solution is presented. Combined with the molecular Ornstein–Zernike (MOZ) integral equation theory for polyatomic liquids, solute electronic wave function and solvent distribution around a solute are determined in a self-consistent manner. The hypernetted chain approximation is employed for solving the MOZ equation. In order to describe the short-range solute–solvent interactions, the effective potential operati

A new three-dimensional reference interaction site model (3D-RISM) program for massively parallel machines combined with the volumetric 3D fast Fourier transform (3D-FFT) was developed, and tested on the RIKEN K supercomputer. The ordinary parallel 3D-RISM program has a limitation on the number of parallelizations because of the limitations of the slab-type 3D-FFT. The volumetric 3D-FFT relieves this limitation drastically. We tested the 3D-RISM calculation on the large and fine calculation cell

The effect of molecular orientational correlations on the solvation free energy (SFE) of one-dimensional and three-dimensional reference interaction site models (1D- and 3D-RISM) is investigated. The repulsive bridge correction (RBC) and the partial wave (PW) expansion are representative approaches for accounting for the orientational correlation partially lacking in original 1D- and 3D-RISM. The SFEs of 1D- and 3D-RISM for a set of small organic molecules are compared with the simulation result