OctSurf: Efficient hierarchical voxel-based molecular surface representation for protein-ligand affinity prediction
Qinqing Liu, Peng‐Shuai Wang, Chunjiang Zhu, Blake Blumenfeld Gaines, Tan Zhu, Jinbo Bi, Minghu Song
Topics & Concepts
VoxelComputer scienceOctreeRepresentation (politics)Convolutional neural networkArtificial intelligencePattern recognition (psychology)Computer visionPoliticsLawPolitical scienceComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics