1 citations · 1 across the 6 of their papers we have counts for
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GeoGraph: Geometric and Graph-based Ensemble Descriptors for Intrinsically Disordered Proteins
Eoin Quinn, Marco Carobene, Jean Quentin +3
While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key…
Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets
Ulrich A. Mbou Sob, Qiulin Li, Miguel Arbesú +3
A specific challenge with deep learning approaches for molecule generation is generating both syntactically valid and chemically plausible molecular string representations. To addr…
Predicting protein stability changes under multiple amino acid substitutions using equivariant graph neural networks
Sebastien Boyer, Sam Money-Kyrle, Oliver Bent
The accurate prediction of changes in protein stability under multiple amino acid substitutions is essential for realising true in-silico protein re-design. To this purpose, we pro…