Results 61 to 70 of about 1,343,548 (292)
, 2013 Inverse statistical-mechanical methods have recently been employed to design optimized short-ranged radial (isotropic) pair potentials that robustly produce novel targeted classical ground-state many-particle configurations.
Stillinger, F. H. +2 more
core +1 more source
Embedded heterostructure epitaxy: A technique for two-dimensional thin-film definition [PDF]
, 1975 Selective multilayer epitaxial growth of GaAs-Ga1–xAlxAs through stripe openings in Al2O3 mask is reported. The technique results in prismatic layers of GaAs and Ga1–xAlxAs "embedded" in each other and leads to controllable uniform structures terminated ...
Gover, A. +3 more
core +1 more source
FEBS Letters, EarlyView.This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel +13 more
wiley +1 more source
npj Computational Materials, 2023 A desired prerequisite when performing a quantum mechanical calculation is to have an initial idea of the atomic positions within an approximate crystal structure. The atomic positions combined should result in a system located in, or close to, an energy
Adam Carlsson +2 more
doaj +1 more source
Crystal Structures of New Ivermectin Pseudopolymorphs
Crystals, 2021 New pseudopolymorphs of ivermectin (IVM), a potential anti-COVID-19 drug, were prepared. The crystal structure for three pseudopolymorphic crystalline forms of IVM has been determined using single-crystal X-ray crystallographic analysis.
Kirill Shubin +2 more
doaj +1 more source
Self collimation of ultrasound in a 3D sonic crystal
, 2009 We present the experimental demonstration of self-collimation (subdiffractive propagation) of an ultrasonic beam inside a three-dimensional sonic crystal.
Espinosa, V. +4 more
core +1 more source
Crystal Structure Representations for Machine Learning Models of Formation Energies [PDF]
, 2015 We introduce and evaluate a set of feature vector representations of crystal structures for machine learning (ML) models of formation energies of solids.
Armiento, Rickard +3 more
core +2 more sources
Cytoplasmic p21 promotes stemness of colon cancer cells via activation of the NFκB pathway
Molecular Oncology, EarlyView.Cytoplasmic p21 promotes colorectal cancer stem cell (CSC) features by destabilizing the NFκB–IκB complex, activating NFκB signaling, and upregulating BCL‐xL and COX2. In contrast to nuclear p21, cytoplasmic p21 enhances spheroid formation and stemness transcription factor CD133.
Arnatchai Maiuthed +10 more
wiley +1 more source
Crystal structures of human procathepsin H. [PDF]
PLoS ONE, 2018 Cathepsin H is a member of the papain superfamily of lysosomal cysteine proteases. It is the only known aminopeptidase in the family and is reported to be involved in cancer and other major diseases.
Yue Hao +8 more
doaj +1 more source
Insightful classification of crystal structures using deep learning
, 2018 Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and analytics.
Ghiringhelli, L. M. +3 more
core +2 more sources