arXiv:2606.00555v2 Announce Type: replace Abstract: Structure-based drug design increasingly employs LLM agents to iteratively refine ligands against a target pocket, yet a viable ligand must satisfy two often-conflicting objectives -- binding affinity and druggability -- which single optimization steps rarely improve together. To quantify this...
Read the full article at the source.
Comments (0)
No comments yet. Be the first to comment!