Results 91 to 100 of about 115,710,970 (297)

in-silico-RENAMED-TIPS.tree

, 2014
In silico tree with tips renamed to full species ...
Brant C. Faircloth (143432), Michael G. Branstetter (609954), White, Noor D., Faircloth, Brant C., Noor D. White (3248478), Brady, Séan G., Séan G. Brady (3248475), Branstetter, Michael G.   +7 more
core   +1 more source

In Silico Design of Novel Anticoagulant Peptides targeting Blood Coagulation Factor VIIa

Sultan Qaboos University Medical Journal, 2011
Objectives: The coagulation cascade initiated during vascular injury prevents bleeding. Unwanted clot formation is however detrimental and requires the use of anticoagulants for prophylaxis and treatment.
Manal S Q Al-Amri, Khalid Alrasadi, Riad Bayoumi, Yajnavalka Banerjee   +3 more
doaj  

In silico design of hydrazone antioxidants and analysis of their free radical-scavenging mechanism by thermodynamic studies

Beni-Suef University Journal of Basic and Applied Sciences, 2019
Background Antioxidants are very crucial in maintaining the normal function of body cells, as they scavenge excess free radical in the body. A set of hydrazone antioxidants was designed by in silico screening.
Ikechukwu Ogadimma Alisi, Adamu Uzairu, Stephen Eyije Abechi   +2 more
doaj   +1 more source

In silico designed microporous carbons

Carbon, 2015
AbstractThis work presents a computational study on the packing of three-dimensional carbon nanostructures and their effect on gas adsorption properties. We show that it is possible to obtain intrinsically microporous materials without specifying structural properties such as surface area or pore size distribution by packing individual graphene ...
Gonciaruk, Aleksandra, Siperstein, Flor R.; id_orcid 0000-0003-3464-2100   +1 more
openaire   +2 more sources

In Vivo Monitoring of Thrombo‐Inflammatory Biomarkers via Molecularly Imprinted Polymer‐Integrated Hydrogel Microneedles

Advanced Materials, EarlyView.
A wearable electrochemical microneedle patch integrates Prussian Blue redox transduction with molecularly imprinted polymer recognition for reagent‐free sampling and detection of thrombo‐inflammatory biomarkers in dermal interstitial fluid. The platform tracks thrombin and inflammatory cytokines with sensitive in vitro, ex vivo, and in vivo performance,
Mahmoud Ayman Saleh, Peyman GhavamiNejad, Arash Khorrami Jahromi, Sanjana Srikant, Sripadh Guptha Yedire, Fatemeh Keyvani, Roozbeh Siavash Moakhar, Sajad Shiekh, Mackenzie Graham, Joe Quadrilatero, Mahla Poudineh, Sara Mahshid   +11 more
wiley   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

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, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

Albumin-Based Nanoparticles with Factorial Design as a Promising Approach for Remodeled Repaglinide: Evidence from In Silico, In Vitro, and In Vivo Evaluations

Pharmaceutics
Background/Objectives: Hyperlipidemia is a silent threat lurking in the bloodstream of millions worldwide. The nano-based platform has emerged as a promising drug delivery technology.
Mennatullah M. Faisal, Eman Gomaa, Mohamed S. Attia, Rana M. Abdelnaby, Adel Ehab Ibrahim, Ahmed Al-Harrasi, Sami El Deeb, Al Zahraa G. Al Ashmawy   +7 more
doaj   +1 more source

Transient Cytoskeletal Anisotropy Encodes Short‐Term Mechanical Memory in Glioblastoma Cells

Advanced Materials, EarlyView.
The same mechanical deformation can produce distinct cytoskeletal states depending on loading history. Experiments and constitutive modeling reveal that transient actin–vimentin anisotropy stores mechanical information and governs short‐term mechanical memory in glioblastoma cells.
Clara Gomez‐Cruz, Matthieu Gelin, Lucas Pradeau‐Phélut, Arrate Muñoz‐Barrutia, Sandrine Etienne‐Manneville, Daniel Garcia‐Gonzalez   +5 more
wiley   +1 more source

The importance of in-silico studies in drug discovery

Intelligent Pharmacy
The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches ...
Miah Roney, Mohd Fadhlizil Fasihi Mohd Aluwi   +1 more
doaj   +1 more source