The prediction of RNA-small-molecule ligand binding affinity based on geometric deep learning
Wentao Xia, Jiasai Shu, Chunjiang Sang, Kang Wang, Yan Wang, Tingting Sun, Xiaojun Xu
Topics & Concepts
RNASmall moleculeComputational biologyVirtual screeningLigand (biochemistry)Binding affinitiesDrug discoveryBinding siteNucleic acid structureAffinitiesRNA-binding proteinMoleculeChemistryBiologyBiological systemComputer scienceNanotechnologyBioinformaticsBiochemistryGeneMaterials scienceReceptorOrganic chemistryRNA and protein synthesis mechanismsComputational Drug Discovery MethodsProtein Structure and Dynamics