Nguyen, Duc Duy

Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges

Nguyen, D. D., Cang, Z., Wu, K., Wang, M., Cao, Y., & Wei, G.-W. (2019) · Journal of Computer-Aided Molecular Design

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 155

Rigidity Strengthening: A Mechanism for Protein–Ligand Binding

Nguyen, D. D., Xiao, T., Wang, M., & Wei, G.-W. (2017) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 105