Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00350
Abstract: Machine learning has shown enormous potential for computer-aided drug discovery. Here we show how modern convolutional neural networks (CNNs) can be applied to structure-based virtual screening. We have coupled our densely connected CNN (DenseNet) with… read more here.
Keywords: virtual screening; transfer learning; neural networks; protein family ... See more keywords
Differences in the number of de novo mutations between individuals are due to small family-specific effects and stochasticity.
Sign Up to like & getrecommendations! Published in 2021 at "Genome research"
DOI: 10.1101/gr.271809.120
Abstract: The number of de novo mutations (DNMs) in the human germline is correlated with parental age at conception, but this explains only part of the observed variation. We investigated whether there is a family-specific contribution… read more here.
Keywords: novo mutations; number novo; number; specific contribution ... See more keywords
Recognition of sites of functional specialisation in all known eukaryotic protein kinase families
Sign Up to like & getrecommendations! Published in 2018 at "PLoS Computational Biology"
DOI: 10.1371/journal.pcbi.1005975
Abstract: The conserved function of protein phosphorylation, catalysed by members of protein kinase superfamily, is regulated in different ways in different kinase families. Further, differences in activating triggers, cellular localisation, domain architecture and substrate specificity between… read more here.
Keywords: protein; protein kinase; family specific; kinase families ... See more keywords