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Geometric deep learning methods and applications in 3D structure-based drug design

Qifeng Bai, Tingyang Xu, Junzhou Huang, Horacio Pérez‐Sánchez

2024Drug Discovery Today28 citationsDOI

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Drug discoveryDrugComputer sciencePharmaceutical sciencesBiochemical engineeringArtificial intelligenceComputational biologyNanotechnologyData scienceMedicinePharmacologyEngineeringBioinformaticsMaterials scienceBiologyComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science
Geometric deep learning methods and applications in 3D structure-based drug design | Litcius