Author
SIB Swiss Institute of Bioinformatics
Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.
2 papers
Recent·Most cited
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.
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.