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Journal of Chemical Information and Modeling
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December 12, 2018
Modeling of Halogen-Protein Interactions in Co-Solvent Molecular Dynamics Simulations
Ying Yang, Amr H Mahmoud, Markus A Lill
Journal of Chemical Theory and Computation
|
April 2, 2019
Improving Atom-Type Diversity and Sampling in Cosolvent Simulations Using λ-Dynamics
Amr H Mahmoud, Ying Yang, Markus A Lill
Communications Chemistry
|
January 27, 2023
Instantaneous generation of protein hydration properties from static structures
Ahmadreza Ghanbarpour, Amr H Mahmoud, Markus A Lill
Nature Communications
|
October 6, 2025
Investigating whether deep learning models for co-folding learn the physics of protein-ligand interactions
Matthew R Masters, Amr H Mahmoud, Markus A Lill
Journal of Cheminformatics
|
February 9, 2023
Efficient virtual high-content screening using a distance-aware transformer model
Manuel S Sellner, Amr H Mahmoud, Markus A Lill
Journal of Chemical Information and Modeling
|
March 30, 2022
Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation
Amr H Mahmoud, Matthew Masters, Soo Jung Lee, et al.
Journal of Chemical Information and Modeling
|
March 14, 2023
Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility
Matthew R Masters, Amr H Mahmoud, Yao Wei, et al.
Journal of Chemical Information and Modeling
|
October 6, 2018
Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites
Matthew R Masters, Amr H Mahmoud, Ying Yang, et al.
Communications Chemistry
|
January 27, 2023
Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning
Amr H Mahmoud, Matthew R Masters, Ying Yang, et al.
BMC Cardiovascular Disorders
|
April 23, 2026
Targeting epicardial adipose tissue in heart failure with preserved ejection fraction: exploring the dapagliflozin connection
Aml Mohamed Soliman, Ramadan Ghaleb, Amr H Mahmoud, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
December 12, 2018
Modeling of Halogen-Protein Interactions in Co-Solvent Molecular Dynamics Simulations
Ying Yang, Amr H Mahmoud, Markus A Lill
Journal of Chemical Theory and Computation
|
April 2, 2019
Improving Atom-Type Diversity and Sampling in Cosolvent Simulations Using λ-Dynamics
Amr H Mahmoud, Ying Yang, Markus A Lill
Communications Chemistry
|
January 27, 2023
Instantaneous generation of protein hydration properties from static structures
Ahmadreza Ghanbarpour, Amr H Mahmoud, Markus A Lill
Nature Communications
|
October 6, 2025
Investigating whether deep learning models for co-folding learn the physics of protein-ligand interactions
Matthew R Masters, Amr H Mahmoud, Markus A Lill
Journal of Cheminformatics
|
February 9, 2023
Efficient virtual high-content screening using a distance-aware transformer model
Manuel S Sellner, Amr H Mahmoud, Markus A Lill
Journal of Chemical Information and Modeling
|
March 30, 2022
Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation
Amr H Mahmoud, Matthew Masters, Soo Jung Lee, et al.
Journal of Chemical Information and Modeling
|
March 14, 2023
Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility
Matthew R Masters, Amr H Mahmoud, Yao Wei, et al.
Journal of Chemical Information and Modeling
|
October 6, 2018
Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites
Matthew R Masters, Amr H Mahmoud, Ying Yang, et al.
Communications Chemistry
|
January 27, 2023
Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning
Amr H Mahmoud, Matthew R Masters, Ying Yang, et al.
BMC Cardiovascular Disorders
|
April 23, 2026
Targeting epicardial adipose tissue in heart failure with preserved ejection fraction: exploring the dapagliflozin connection
Aml Mohamed Soliman, Ramadan Ghaleb, Amr H Mahmoud, et al.
Page
of 2