Author

Matthew R. Masters

SIB Swiss Institute of Bioinformatics

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Bioinformatics· 1 Biophysics· 1

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Approach:deep learning· 2 Research Focus:benchmarking· 1 Research Focus:drug response / drug discovery· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1

Frequent Co-Authors

Amr Hamed Mahmoud· 2 shared Markus A. LilliD· 2 shared

Activity by Year

2024-2024 · peak 2/yr

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2 top collaborators · 1 mutual co-author link

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2 shared papersBiophysics

Amr Hamed Mahmoud

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2 papers

Recent·Most cited

Parallel Sampling of Protein-Ligand Dynamics

Matthew R. Masters, Amr Hamed Mahmoud, Markus A. Lill

This paper introduces a generative deep neural network to efficiently sample protein-ligand dynamics, enabling accurate and rapid generation of complexes with full flexibility.

bioRxiv · Jul 8, 2024 · PreprintBiophysics

Do Deep Learning Models for Co-Folding Learn the Physics of Protein-Ligand Interactions?

Matthew R. Masters, Amr Hamed Mahmoud, Markus A. Lill

This study evaluates whether deep learning models for co-folding adhere to physical principles in predicting protein-ligand interactions and finds they show discrepancies under perturbations, suggesting overfitting.

bioRxiv · Jun 3, 2024 · PreprintBioinformatics