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q-bio.BM2024
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…
q-bio.QM2024
Protein binding affinity prediction under multiple substitutions applying eGNNs on Residue and Atomic graphs combined with Language model information: eGRAL
Arturo Fiorellini-Bernardis, Sebastien Boyer, Christoph Brunken +4
Protein-protein interactions (PPIs) play a crucial role in numerous biological processes. Developing methods that predict binding affinity changes under substitution mutations is f…