Editorial: Combined artificial intelligence and molecular dynamics (AI-MD) methods

por Zhang, Leili, Huang, Kai, Yang, Yi Isaac, Shi, Liang
Publicado 2022

CASTELO: clustered atom subtypes aided lead optimization—a combined machine learning and molecular modeling method

por Zhang, Leili, Domeniconi, Giacomo, Yang, Chih-Chieh, Kang, Seung-gu, Zhou, Ruhong, Cong, Guojing
Publicado 2021

Different states of synaptotagmin regulate evoked versus spontaneous release

por Bai, Hua, Xue, Renhao, Bao, Huan, Zhang, Leili, Yethiraj, Arun, Cui, Qiang, Chapman, Edwin R.
Publicado 2016

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