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2020

Mahmoud, Amr H. and Lill, Jonas F. and Lill, Markus A.. (2020) Graph-convolution neural network-based flexible docking utilizing coarse-grained distance matrix. 2008 (12027).

Mahmoud, Amr H. and Masters, Matthew R. and Yang, Ying and Lill, Markus A.. (2020) Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning. Communications Chemistry, 3. p. 19.

2019

Mahmoud, Amr and Masters, Matthew and Yang, Ying and Lill, Markus A.. (2019) Elucidating the Multiple Roles of Hydration in Protein-Ligand Binding via Layerwise Relevance Propagation and Big Data Analytics. Biological and Medicinal Chemistry.