AIMC Topic: Sirtuins

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DeepSIRT: A deep neural network for identification of sirtuin targets and their subcellular localizations.

Computational biology and chemistry May 24, 2021
Sirtuins are a family of proteins that play a key role in regulating a wide range of cellular processes including DNA regulation, metabolism, aging/longevity, cell survival, apoptosis, and stress resistance. Sirtuins are protein deacetylases and incl...
Humans Neural Networks, Computer Deep Learning Sirtuins
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Finding Reactive Configurations: A Machine Learning Approach for Estimating Energy Barriers Applied to Sirtuin 5.

Journal of chemical theory and computation Nov 25, 2019
Sirtuin 5 is a class III histone deacetylase that, unlike its classification, mainly catalyzes desuccinylation and demanoylation reactions. It is an interesting drug target that we use here to test new ideas for calculating reaction pathways of large...
Humans Machine Learning Molecular Dynamics Simulation Quantum Theory Protein Conformation Thermodynamics Sirtuins
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NAD_MCNN: Combining Protein Language Models and Multiwindow Convolutional Neural Networks for Deacetylase NAD+ Binding Site Prediction.

Chemical biology & drug design Apr 1, 2025
Sirtuins, a class of NAD+ -dependent deacetylases, play a key role in aging, metabolism, and longevity. Their interaction with NAD+ at the catalytic site is crucial for function, but experimental methods to map NAD+ binding sites are time consuming. ...
Humans Neural Networks, Computer Convolutional Neural Networks Binding Sites NAD Sirtuins
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