LigVoxel: inpainting binding pockets using 3D‐convolutional neural networks
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DOI: 10.1093/bioinformatics/bty583
Abstract: Motivation: Structure‐based drug discovery methods exploit protein structural information to design small molecules binding to given protein pockets. This work proposes a purely data driven, structure‐based approach for imaging ligands as spatial fields in target… read more here.
Keywords: using convolutional; binding pockets; inpainting binding; structure based ... See more keywords