all AI news
Protein binding affinity prediction under multiple substitutions applying eGNNs on Residue and Atomic graphs combined with Language model information: eGRAL
May 7, 2024, 4:43 a.m. | Arturo Fiorellini-Bernardis, Sebastien Boyer, Christoph Brunken, Bakary Diallo, Karim Beguir, Nicolas Lopez-Carranza, Oliver Bent
cs.LG updates on arXiv.org arxiv.org
Abstract: Protein-protein interactions (PPIs) play a crucial role in numerous biological processes. Developing methods that predict binding affinity changes under substitution mutations is fundamental for modelling and re-engineering biological systems. Deep learning is increasingly recognized as a powerful tool capable of bridging the gap between in-silico predictions and in-vitro observations. With this contribution, we propose eGRAL, a novel SE(3) equivariant graph neural network (eGNN) architecture designed for predicting binding affinity changes from multiple amino acid substitutions …
abstract arxiv cs.ai cs.lg deep learning engineering fundamental graphs information interactions language language model modelling multiple prediction processes protein q-bio.qm role systems type
More from arxiv.org / cs.LG updates on arXiv.org
Jobs in AI, ML, Big Data
Software Engineer for AI Training Data (School Specific)
@ G2i Inc | Remote
Software Engineer for AI Training Data (Python)
@ G2i Inc | Remote
Software Engineer for AI Training Data (Tier 2)
@ G2i Inc | Remote
Data Engineer
@ Lemon.io | Remote: Europe, LATAM, Canada, UK, Asia, Oceania
Artificial Intelligence – Bioinformatic Expert
@ University of Texas Medical Branch | Galveston, TX
Lead Developer (AI)
@ Cere Network | San Francisco, US