On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction

por Born, Jannis, Shoshan, Yoel, Huynh, Tien, Cornell, Wendy D., Martin, Eric J., Manica, Matteo
Publicado 2022

Simplified, interpretable graph convolutional neural networks for small molecule activity prediction

por Weber, Jeffrey K., Morrone, Joseph A., Bagchi, Sugato, Pabon, Jan D. Estrada, Kang, Seung-gu, Zhang, Leili, Cornell, Wendy D.
Publicado 2021