Amr H. Mahmoud

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 8

Top Topics

Molecular Dynamics Simulations

Protein Interaction Data

Top Venues

J. Chem. Inf. Model.

Mach. Learn. Sci. Technol.

J. Cheminformatics

Publications

Manuel S. Sellner, Amr H. Mahmoud, Markus A. Lill
Efficient virtual high-content screening using a distance-aware transformer model. J. Cheminformatics 15 (1) (2023)
Matthew R. Masters, Amr H. Mahmoud, Yao Wei, Markus A. Lill
Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility. J. Chem. Inf. Model. 63 (6) (2023)
Florian B. Hinz, Amr H. Mahmoud, Markus A. Lill
Prediction of molecular field points using SE(3)-transformer model. Mach. Learn. Sci. Technol. 4 (3) (2023)
Soo Jung Lee, Amr H. Mahmoud, Markus A. Lill
Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation. CoRR (2023)
Amr H. Mahmoud, Matthew Masters, Soo Jung Lee, Markus A. Lill
Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation. J. Chem. Inf. Model. 62 (7) (2022)
Ahmadreza Ghanbarpour, Amr H. Mahmoud, Markus A. Lill
On-the-fly Prediction of Protein Hydration Densities and Free Energies using Deep Learning. CoRR (2020)
Ying Yang, Amr H. Mahmoud, Markus A. Lill
Modeling of Halogen-Protein Interactions in Co-Solvent Molecular Dynamics Simulations. J. Chem. Inf. Model. 59 (1) (2019)
Matthew R. Masters, Amr H. Mahmoud, Ying Yang, Markus A. Lill
Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites. J. Chem. Inf. Model. 58 (11) (2018)