Author

Mac Kevin E. Braza

2 papers indexed here

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Open access Sep 2026

A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design

Traditional screening-based drug discovery is inherently limited by the astronomical scale of the chemical space. Generative modelling offers a compelling alternative to the classical search paradigm and enables rational, bottom-up design of novel and target-specific small molecules. However, its impact has been hamper...

Ilia Igashov, Arne Schneuing, Adrian W. Dobbelstein et al. · bioRxiv · 0 citations

Open access Sep 2026

Dimerization and Ligand Binding Rewire Allosteric Networks in SARS-CoV-2 Main Protease.

The SARS-CoV-2 main protease (MPro) is an essential enzyme for viral replication and a primary target for antiviral drug development. Despite extensive structural and biochemical characterization, the allosteric mechanisms by which dimerization informs conformational changes at active site lack an explicit comparison a...

Javier O. Sanlley Hernandez, Carla Calvó-Tusell, Fiona L. Kearns et al. · Biophysical Journal · 0 citations