Computational Approaches for PPARγ Inhibitor Development: Recent Advances and Perspectives.
Sign Up to like & getrecommendations! Published in 2025 at "ChemistryOpen"
DOI: 10.1002/open.202500087
Abstract: The development of peroxisome proliferator-activated receptor gamma (PPARγ) inhibitors has attracted significant interest for treating metabolic disorders, cancer, and inflammatory diseases. This review highlights the crucial role of computational modelling in advancing PPARγ inhibitor development,… read more here.
Keywords: computational approaches; inhibitor development; ppar inhibitor; inhibitor ... See more keywords
Computational Modelling of Cancer Development and Growth: Modelling at Multiple Scales and Multiscale Modelling
Sign Up to like & getrecommendations! Published in 2018 at "Bulletin of Mathematical Biology"
DOI: 10.1007/s11538-017-0292-3
Abstract: In this paper, we present two mathematical models related to different aspects and scales of cancer growth. The first model is a stochastic spatiotemporal model of both a synthetic gene regulatory network (the example of… read more here.
Keywords: model; computational modelling; cancer; development ... See more keywords
Computational Modelling in Pyrometallurgy: Part II
Sign Up to like & getrecommendations! Published in 2021 at "JOM"
DOI: 10.1007/s11837-021-04839-z
Abstract: In Part II of this special topic on Computational Modeling Pyrometallurgy, eleven papers are presented highlighting the wide variation of computational methods applied in the field. As was seen in Part I, pyrometallurgy is a… read more here.
Keywords: pyrometallurgy; pyrometallurgy part; modelling pyrometallurgy; computational modeling ... See more keywords
Computational modelling applied to predict the pressure coefficients in deformed single arch-shape greenhouses
Sign Up to like & getrecommendations! Published in 2020 at "Biosystems Engineering"
DOI: 10.1016/j.biosystemseng.2020.10.003
Abstract: In the calculation of wind effects on civil constructions, the pressure coefficients, which are usually obtained from specific standards or by tests of reduced models in wind tunnels, are essential, and these coefficients are commonly… read more here.
Keywords: arch; shape; pressure coefficients; computational modelling ... See more keywords
Computational modelling of solid oxide fuel cells
Sign Up to like & getrecommendations! Published in 2020 at "Current Opinion in Electrochemistry"
DOI: 10.1016/j.coelec.2019.12.007
Abstract: Abstract Solid oxide fuel cells (SOFCs) are highly efficient fuel-flexible energy conversion devices. In this review, we present the latest advances in the computational modelling of SOFC components. The combination of first principle calculations and… read more here.
Keywords: fuel cells; fuel; solid oxide; computational modelling ... See more keywords
Computational modelling of void growth in Phenolic Molding Compounds filled PolyPropylene from optical measurements
Sign Up to like & getrecommendations! Published in 2018 at "Polymer Testing"
DOI: 10.1016/j.polymertesting.2018.09.008
Abstract: Abstract Phenolic molding compounds (PMC), also known as Bakelite™, are the first synthetic plastics ever produced. They are still in use today in electrical, household and automotive applications. However, one major drawback of PMC is… read more here.
Keywords: void growth; matrix; molding compounds; phenolic molding ... See more keywords
Deep learning: new computational modelling techniques for genomics
Sign Up to like & getrecommendations! Published in 2019 at "Nature Reviews Genetics"
DOI: 10.1038/s41576-019-0122-6
Abstract: As a data-driven science, genomics largely utilizes machine learning to capture dependencies in data and derive novel biological hypotheses. However, the ability to extract new insights from the exponentially increasing volume of genomics data requires… read more here.
Keywords: deep learning; new computational; computational modelling; modelling techniques ... See more keywords
Computational modelling of nanoparticle catalysis.
Sign Up to like & getrecommendations! Published in 2025 at "Nanoscale"
DOI: 10.1039/d4nr04364b
Abstract: In recent years, computational methods have complemented a range of experimental techniques to enrich our understanding of chemical systems. This is particularly true in catalysis, as it is possible to gain atomic level insight into… read more here.
Keywords: computational methods; active sites; modelling nanoparticle; catalysis ... See more keywords
Computational modelling of aggressive B-cell lymphoma
Sign Up to like & getrecommendations! Published in 2025 at "Biochemical Society Transactions"
DOI: 10.1042/bst20253039
Abstract: Decades of research into the molecular signalling determinants of B cell fates, and recent progress in characterising the genetic drivers of lymphoma, has led to a detailed understanding of B cell malignancies but also revealed… read more here.
Keywords: cell lymphoma; aggressive cell; modelling aggressive; computational models ... See more keywords
Three-dimensional printing, holograms, computational modelling, and artificial intelligence for adult congenital heart disease care: an exciting future.
Sign Up to like & getrecommendations! Published in 2022 at "European heart journal"
DOI: 10.1093/eurheartj/ehac266
Abstract: Congenital heart disease (CHD) is often comprised of complex three-dimensional (3D) anatomy that must be well understood to assess the pathophysiological consequences and guide therapy. Thus, detailed cardiac imaging for early detection and planning of… read more here.
Keywords: congenital heart; modelling artificial; three dimensional; computational modelling ... See more keywords
Including frameworks of public health ethics in computational modelling of infectious disease interventions
Sign Up to like & getrecommendations! Published in 2025 at "Interface Focus"
DOI: 10.1098/rsfs.2025.0004
Abstract: Decisions on public health interventions to control infectious diseases are often informed by computational models. Interpreting the predicted outcomes of a public health decision requires not only high-quality modelling but also an ethical framework for… read more here.
Keywords: public health; health ethics; infectious disease; computational modelling ... See more keywords