AI-Driven prediction of binding trends of SARS-CoV-2 variants from atomistic simulations
Sign Up to like & getrecommendations! Published in 2022 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2021.11.1211
Abstract: Protein-protein interactions are fundamental for cellular processes underlying functions such as signal transduction, cell regulation, or immune response activation among others. However, in silico characterization at atomistic level of the binding process between two proteins… read more here.
Keywords: driven prediction; two molecules; prediction binding; prediction ... See more keywords
Data-Driven Prediction of Nanoparticle Biodistribution from Physicochemical Descriptors
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DOI: 10.1021/acsnano.5c03040
Abstract: Nanoparticles have gained significant attention in biomedicine, electronics, and environmental science due to their unique physicochemical properties, which critically influence their absorption, distribution, metabolism, and excretion behavior in biological systems. However, predicting nanoparticle biodistribution and… read more here.
Keywords: nanoparticle biodistribution; driven prediction; data driven; physicochemical properties ... See more keywords
Structure-driven prediction of magnetic order in uranium compounds
Sign Up to like & getrecommendations! Published in 2024 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.8.114405
Abstract: The advancement of machine learning technologies has revolutionized the search and optimization of material properties. These algorithms often rely on theoretical calculations, such as density functional theory (DFT), for data inputs and validation, which are… read more here.
Keywords: prediction magnetic; order uranium; driven prediction; magnetic order ... See more keywords
Data-driven prediction of COVID-19 cases in Germany for decision making
Sign Up to like & getrecommendations! Published in 2022 at "BMC Medical Research Methodology"
DOI: 10.1186/s12874-022-01579-9
Abstract: Background The COVID-19 pandemic has led to a high interest in mathematical models describing and predicting the diverse aspects and implications of the virus outbreak. Model results represent an important part of the information base… read more here.
Keywords: driven prediction; model; covid; decision ... See more keywords