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Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images
A contact map is a compact representation of the three-dimensional structure of a protein via the pairwise contacts between the amino acid constituting the protein.
3D Deep Learning for Biological Function Prediction from Physical Fields
In this paper, we show that deep learning can predict biological function of molecules directly from their raw 3D approximated electron density and electrostatic potential fields.
Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions
Computer-aided drug discovery is an essential component of modern drug development.
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