Results 111 to 120 of about 423,064 (316)
Protein folding in silico : protein folding versus protein structure prediction /
, 2012 Protein folding is a process by which a protein structure assumes its functional shape of conformation, and has been the subject of research since the publication of the first software tool for protein structure prediction.
Roterman-Konieczna, Irena,editor.
core
Characterization and optimization of azo dyes degrading microbes isolated from textile effluent
Scientific ReportsAzo dyes are highly recalcitrant, persistent, and toxic compounds, extensively used in the textile industry. The untreated discharge of dye effluents from the textile industry poses severe environmental and health risks.
Arshiya Khan +2 more
doaj +1 more source
Advanced Materials, EarlyView.Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu +3 more
wiley +1 more source
A novel approach for mining polymorphic microsatellite markers in silico
, 2011 Hoffman J, Nichols HJ. A novel approach for mining polymorphic microsatellite markers in silico. PLoS ONE. 2011;6(8): e23283.Abstract: An important emerging application of high-throughput 454 sequencing is the isolation of molecular markers such as ...
Joseph I. Hoffman +8 more
core +1 more source
Cosmetics and In Silico Approaches
Journal of Marmara University Institute of Health Sciences, 2014 Emerging technologies with molecular modelling techniques give opportunity to discover the active ingredients in cosmetics by using rational methods. Using chemoinformatic methods provides information about the acquisition of cosmetic active molecules or groups.
ALĞIN YAPAR, Evren, Ölgen, Süreyya
openaire +2 more sources
Inverse Design of Amorphous Materials With Targeted Properties
Advanced Materials, EarlyView.AMDEN is a diffusion model framework for the inverse design of amorphous materials with targeted properties. By incorporating Hamiltonian Monte Carlo refinement into the denoising process, the framework overcomes the challenge of generating thermally relaxed disordered structures.
Jonas A. Finkler +4 more
wiley +1 more source
Citation: 'in silico' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.15808 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire +2 more sources
AI–Guided 4D Printing of Carnivorous Plants–Inspired Microneedles for Accelerated Wound Healing
Advanced Materials, EarlyView.This work presents an artificial intelligence (AI)‐guided 4D‐printed microneedle platform inspired by carnivorous plants for wound healing. A thermo‐responsive shape memory polymer enables body temperature–triggered self‐coiling for autonomous wound closure.
Hyun Lee +21 more
wiley +1 more source
Advanced Materials, EarlyView.ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald +7 more
wiley +1 more source
In silico, in vitro and in vivo characterisation of thiamin binding proteins from plant seeds [PDF]
Thiamin, an essential micronutrient, is a cofactor for enzymes involved in the central carbon metabolism and amino acid pathways. Despite efforts to enhance thiamin content in rice by incorporating thiamin biosynthetic genes, increasing thiamin content ...
Mishra, Ratnesh +9 more
core +1 more source