Physicochemical rule-embedded generative modeling for constrained peptide therapeutics
Constrained peptides couple covalent topology, stereochemistry, three-dimensional structure, conformational dynamics and developability. We review physicochemical rule embedding…
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Read at nature.comPhysicochemical rule-embedded generative modeling for constrained peptide therapeutics
Constrained peptides couple covalent topology, stereochemistry, three-dimensional structure, conformational dynamics and developability. We review physicochemical rule embedding across chemical-language, target-conditioned structural, geometric, atom-bond, ensemble and property-guided generative models, distinguishing generated molecular objects from downstream inference and predictions from prosp
