Amr H. Mahmoud

Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning

Amr H. Mahmoud, Matthew R. Masters, Yang Ying et al. · Communications Chemistry · 2020 · 75 citations · Full text

Engineering, Computational Chemistry, Molecular Dynamics +16

Deep Learning Model for Efficient Protein–Ligand Docking with Implicit Side-Chain Flexibility

Matthew R. Masters, Amr H. Mahmoud, Wei Yao et al. · Journal of Chemical Information and Modeling · 2023 · 55 citations

Implicit Side-chain Flexibility, Engineering, Molecular Biology +20

Rubiscolins are naturally occurring G protein-biased delta opioid receptor peptides

Robert J. Cassell, Kendall L. Mores, Breanna L. Zerfas et al. · European Neuropsychopharmacology · 2018 · 37 citations

Molecular Pharmacology, Signal Transduction, Molecular Physiology +12

Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites

Matthew R. Masters, Amr H. Mahmoud, Ying Yang et al. · Journal of Chemical Information and Modeling · 2018 · 21 citations

Investigating whether deep learning models for co-folding learn the physics of protein-ligand interactions

Matthew R. Masters, Amr H. Mahmoud, Markus A. Lill · Nature Communications · 2025 · 20 citations · Full text