We have recently established a Pharamaceutical Innovation Value Chain in collaboration with the SOSHO project (http://www.so-sho.jp) and BioGrid Project (http://www.biogrid.jp/) to accelerate new drug development. The SOSHO project provides novel crystallization technology with laser-irradiation and stirring growth methods, and the BioGrid Project is developing the software necessary for the in silico screening of promising drugs and the simulation of biological responses to proteins. In this paper, we report the recent research work on the crystallization of membrane proteins and the development of a method for in silico drug discovery.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1248/yakushi.128.497 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Hexagonal Hollow Core PCF-Based Blood Components Sensing: Design and Simulation.
Cell Biochem Biophys
January 2025
Department of Electronics and Communication Engineering, Hajee Mohammad Danesh Science and Technology University, Dinajpur, 5200, Bangladesh.
Blood components play a crucial role in maintaining human health and accurately detecting them is essential for medical diagnostics. A cutting-edge sensor utilizing PCF revealed to precisely identify a wide range of blood components with WBCs (white blood cells), RBCs (red blood cells), HB (hemoglobin), platelets, and plasma. A numerical analysis was performed using COMSOL Multiphysics software to assess the capabilities of the sensor.
View Article and Find Full Text PDFPhotoelasticity of crystals with the scheelite structure: quantum mechanical calculations.
Acta Crystallogr B Struct Sci Cryst Eng Mater
February 2025
Faculty of Electrical Engineering, Czestochowa University of Technology, 17 Al. Armii Krajowej, Częstochowa, PL-42200, Poland.
We report a complete set of elastic, piezooptic and photoelastic tensor constants of scheelite crystals CaMoO, BaMoO, BaWO and PbWO determined by density functional theory (DFT) calculations using the quantum chemical software package CRYSTAL17. The modulation parameter, i.e.
View Article and Find Full Text PDFPhase formation and phase stability for the homogenous and heterogeneous amorphous metals versus the crystalline phase.
Proc Natl Acad Sci U S A
January 2025
Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011.
From molecular dynamics (MD) simulations of melt-quenching and thermal aging procedures in pure Ag, Cu, Ag-Cu binary alloys, and Cu-Zr binary alloys, we have identified two distinct amorphous phases for a metastable undercooled liquid: the homogeneous L-phase with low shear rigidity and the heterogenous G-phase with much higher shear rigidity and a heterogeneity length scale Λ. Here, we examine two-phase equilibration studies showing that the G-phase melts to form the L-phase above ~1,000 K, which then transforms to form the crystal (X) phase; however, below the melting point of the G-Phase (~990 K), the X- and G-phases do not transform into each other. We suggest the presence of a G-phase is likely responsible for embrittlement often observed in metallic glasses.
View Article and Find Full Text PDFEpitaxial Electrodeposition of Zinc on Different Single Crystal Copper Substrates for High Performance Aqueous Batteries.
Nano Lett
January 2025
Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, United States.
The aqueous zinc metal battery holds great potential for large-scale energy storage due to its safety, low cost, and high theoretical capacity. However, challenges such as corrosion and dendritic growth necessitate controlled zinc deposition. This study employs epitaxy to achieve large-area, dense, and ultraflat zinc plating on textured copper foil.
View Article and Find Full Text PDFSpontaneous Formation of Single-Crystalline Spherulites in a Chiral 2D Hybrid Perovskite.
J Am Chem Soc
January 2025
Department of Chemical and Environmental Engineering, Yale University, New Haven, Connecticut 06520, United States.
In two-dimensional (2D) chiral metal-halide perovskites (MHPs), chiral organic spacers induce structural chirality and chiroptical properties in the metal-halide sublattice. This structural chirality enables reversible crystalline-glass phase transitions in (-NEA)PbBr, a prototypical chiral 2D MHP where NEA represents 1-(1-naphthyl)ethylammonium. Here, we investigate two distinct spherulite states of (-NEA)PbBr, exhibiting either radial-like or stripe-like banded patterns depending on the annealing conditions of the amorphous film.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!