Online Machine Learning for Accelerating Molecular Dynamics Modeling of Cells

por Zhang, Ziji, Zhang, Peng, Han, Changnian, Cong, Guojing, Yang, Chih-Chieh, Deng, Yuefan
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