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AISBDD Team

Publications

Selected Publications

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R.J.L. Townshend et al. Geometric deep learning of RNA structure. Science 373:1047-1051 (2021). J.M. Paggi et al. Leveraging nonstructural data to predict structures and affinities of protein–ligand complexes. PNAS 118: e2112621118 (2021). 

A.S. Powers et al. Fragment-based ligand generation guided by geometric deep learning on protein-ligand structure. International Conference on Learning Representations (ICLR) (2022).

N. Anand et al. Protein sequence design with a learned potential. Nature Communications 13:746 (2022). R. Eguchi et al. Ig-VAE: Generative modeling of protein structure by direct 3D coordinate generation. PLoS Computational Biology 18: e1010271 (2022).

R. Eguchi et al. Ig-VAE: Generative modeling of protein structure by direct 3D coordinate generation. PLoS Computational Biology 18: e1010271 (2022).