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Found 2 papers, 2 papers with code
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening
Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins.
Scaffold-based molecular design using graph generative model
Searching new molecules in areas like drug discovery often starts from the core structures of candidate molecules to optimize the properties of interest.
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Molecular Graph Generation
on InterBioScreen
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