Skip to content
Log in
Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

H. Bunzel

View on Semantic Scholar

3 papers indexed here

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Open access Sep 2026

Evolution promotes transition-state-like conformations with enhanced basicity and electric fields in the substrate complex of a designer enzyme

Enzymes can be computationally designed for an increasing range of reactions, yet the catalytic efficiencies achieved are typically well below those of natural biocatalysts. Directed evolution can narrow this gap, often improving activity through mutations with non-obvious effects on catalysis. Here, we dissect how dir...

Abbie Lear, H. Bunzel, Adrian J. Mulholland · 0 citations
#diffusion models Review Open access Sep 2026

What deep learning can and cannot (yet) do for enzyme design.

Deep learning has substantially advanced structure-based enzyme design, yet reliably creating highly efficient enzymes remains out of reach. One emerging enzyme design strategy combines diffusion-based scaffold generation around active-site models with sequence design. Such structure-based approaches have expanded the...

Judith A. Ahr, Moor de Waal, Tudor-Stefan Cotet et al. · 1 citation
Open access Sep 2026

Machine learned potentials with electrostatic embedding accurately capture Kemp eliminase reactivity

EMLE-based ML/MM MD simulations are established as a potential route for fast and accurate assessment of barriers in computational screening for enzyme design and capture the ∼4 kcal/mol difference in barrier between the two observed in experiment.

Abbie Lear, E. Chan, Kirill Zinovjev et al. · 0 citations

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.