Generating 3D small binding molecules using shape-conditioned diffusion models with guidance
Ziqi Chen, Bo Peng, T. Zhai, Daniel Adu‐Ampratwum, Xia Ning
Topics & Concepts
DiffusionSmall moleculeMoleculeBiophysicsNanotechnologyMaterials scienceChemistryPhysicsBiologyBiochemistryThermodynamicsOrganic chemistryMonoclonal and Polyclonal Antibodies ResearchComputational Drug Discovery MethodsChemical Synthesis and Analysis