Amr H. Mahmoud

According to our database, Amr H. Mahmoud authored at least 9 papers between 2018 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Accelerated Hydration Site Localization and Thermodynamic Profiling.

Florian B. Hinz, Matthew R. Masters, Julia N. Kieu, Amr H. Mahmoud, Markus A. Lill

CoRR, 2024

2023

Efficient virtual high-content screening using a distance-aware transformer model.

Manuel S. Sellner, Amr H. Mahmoud, Markus A. Lill

J. Cheminformatics, December, 2023

Prediction of molecular field points using SE(3)-transformer model.

Florian B. Hinz, Amr H. Mahmoud, Markus A. Lill

Mach. Learn. Sci. Technol., September, 2023

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

Matthew R. Masters, Amr H. Mahmoud, Yao Wei, Markus A. Lill

J. Chem. Inf. Model., March, 2023

Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation.

Soo Jung Lee, Amr H. Mahmoud, Markus A. Lill

CoRR, 2023

2022

Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation.

Amr H. Mahmoud, Matthew Masters, Soo Jung Lee, Markus A. Lill

J. Chem. Inf. Model., 2022

2020

On-the-fly Prediction of Protein Hydration Densities and Free Energies using Deep Learning.

Ahmadreza Ghanbarpour, Amr H. Mahmoud, Markus A. Lill

CoRR, 2020

2019

Modeling of Halogen-Protein Interactions in Co-Solvent Molecular Dynamics Simulations.

Ying Yang, Amr H. Mahmoud, Markus A. Lill

J. Chem. Inf. Model., 2019

2018

Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites.

Matthew R. Masters, Amr H. Mahmoud, Ying Yang, Markus A. Lill

J. Chem. Inf. Model., 2018