Results 111 to 120 of about 4,431,399 (381)
FEBS Open Bio, EarlyView.This review highlights how foundation models enhance predictive healthcare by integrating advanced digital twin modeling with multiomics and biomedical data. This approach supports disease management, risk assessment, and personalized medicine, with the goal of optimizing health outcomes through adaptive, interpretable digital simulations, accessible ...
Sakhaa Alsaedi +2 more
wiley +1 more source
FEBS Open Bio, EarlyView.The tumor microenvironment is a dynamic, multifaceted complex system of interdependent cellular, biochemical, and biophysical components. Three‐dimensional in vitro models of the tumor microenvironment enable a better understanding of these interactions and their impact on cancer progression and therapeutic resistance.
Salma T. Rafik +3 more
wiley +1 more source
Computational solution of atmospheric chemistry problems [PDF]
Extensive studies were performed on problems of interest in atmospheric chemistry. In addition to several minor projects, four major projects were performed and described (theoretical studies of ground and low-lying excited states of ClO2; ground and ...
Ake, R. L., Jafri, J.
core +1 more source
FEBS Open Bio, EarlyView.The A3 adenosine receptors (A3ARs) are overexpressed in prostate cancer. AR 292 and AR 357, as A3AR antagonists, are capable of blocking proliferation, modulating the expression of drug transporter genes involved in chemoresistance, ferroptosis, and the hypoxia response, and inducing cell death.
Maria Beatrice Morelli +15 more
wiley +1 more source
Use of metamodels for rapid discovery of narrow bandgap oxide photocatalysts
iScience, 2021 Summary: New photocatalysts are traditionally identified through trial-and-error methods. Machine learning has shown considerable promise for improving the efficiency of photocatalyst discovery from a large potential pool. Here, we describe a multi-step,
Haoxin Mai +6 more
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Algorithms versus architectures for computational chemistry [PDF]
The algorithms employed are computationally intensive and, as a result, increased performance (both algorithmic and architectural) is required to improve accuracy and to treat larger molecular systems.
Bauschlicher, C. W., Jr., Partridge, H.
core +1 more source
Cyclooctyne-based reagents for uncatalyzed click chemistry: A computational survey [PDF]
, 2009 With the goal of identifying alkyne-like reagents for use in click chemistry, but without Cu catalysts, we used B3LYP density function theory (DFT) to investigate the trends in activation barriers for the 1,3-dipolar cycloadditions of azides with various
Chenoweth, David +2 more
core +1 more source
FEBS Open Bio, EarlyView.ZNF469 regulates the expression of genes encoding extracellular matrix proteins. Endogenous ZNF469 is predominantly cytoplasmic, while in transfected cells, it forms aggregates reminiscent of biomolecular condensates, located mainly in the nucleus. These condensates exhibit overlapping staining with proteasomes and are also associated with the mitotic ...
Anne Elisabeth Christensen Mellgren +8 more
wiley +1 more source
The Need, Benefits, and Demonstration of a Minimization Principle for Excited States
, 2015 It is shown that the standard methods of computing excited states in truncated spaces must yield wave functions that, beyond truncation, are in principle veered away from the exact, and a remedy is demonstrated via a presented functional, F$_n$, obeying ...
Bacalis, Naoum C.
core +1 more source
FEBS Open Bio, EarlyView.We obtained potential bacterial laccase‐like multicopper oxidase (LMCO) sequences through metagenomic sequencing. All sequences exhibited significant differences from known LMCOs in databases. To select the most promising candidates, we performed structure prediction and molecular docking using alphafold2, metal3d and rosetta.
Ting Cui +5 more
wiley +1 more source