Mahmoud Shalash

Recipient of the Marie Curie (MSCA) COFUND FutureData4EU fellowship.

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Welcome

Computational Biochemistry, Molecular Simulations & AI-driven drug discovery.

I’m a PhD candidate exploring how physics-based molecular dynamics, machine-learning models, and Hydrogen–Heuterium eXchange Mass Spectrometry (HDX-MS) can illuminate protein structure and dynamics. I’m fascinated by how proteins work—and by how we can design effective drugs to modulate them. Here you’ll find my publications, open-source code, and collaborative projects at the intersection of computation and life science.

Molecular Dynamics ML / AI Data Analysis Computational Biochemistry
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