Amr H. Mahmoud

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Accelerated Hydration Site Localization and Thermodynamic Profiling.
J. Chem. Inf. Model.
Florian B. Hinz, Matthew R. Masters, Julia T. Nguyen, Amr H. Mahmoud, Markus A. Lill
2025 J jnl
An analysis of the modality and flexibility of the inverse stereographic normal distribution.
Stat. Comput.
Florian B. Hinz, Amr H. Mahmoud, Markus A. Lill
2024 J jnl
Accelerated Hydration Site Localization and Thermodynamic Profiling.
CoRR
Florian B. Hinz, Matthew R. Masters, Julia N. Kieu, Amr H. Mahmoud, Markus A. Lill
2023 J jnl
Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation.
CoRR
Soo Jung Lee, Amr H. Mahmoud, Markus A. Lill
2023 J jnl
Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility.
J. Chem. Inf. Model.
Matthew R. Masters, Amr H. Mahmoud, Yao Wei, Markus A. Lill
2023 J jnl
Efficient virtual high-content screening using a distance-aware transformer model.
J. Cheminformatics
Manuel S. Sellner, Amr H. Mahmoud, Markus A. Lill
2023 J jnl
Prediction of molecular field points using SE(3)-transformer model.
Mach. Learn. Sci. Technol.
Florian B. Hinz, Amr H. Mahmoud, Markus A. Lill
2022 J jnl
Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation.
J. Chem. Inf. Model.
Amr H. Mahmoud, Matthew Masters, Soo Jung Lee, Markus A. Lill
2020 J jnl
On-the-fly Prediction of Protein Hydration Densities and Free Energies using Deep Learning.
CoRR
Ahmadreza Ghanbarpour, Amr H. Mahmoud, Markus A. Lill
2019 J jnl
Modeling of Halogen-Protein Interactions in Co-Solvent Molecular Dynamics Simulations.
J. Chem. Inf. Model.
Ying Yang, Amr H. Mahmoud, Markus A. Lill
2018 J jnl
Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites.
J. Chem. Inf. Model.
Matthew R. Masters, Amr H. Mahmoud, Ying Yang, Markus A. Lill