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Francesco Paesani

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Open access Aug 2026

Microsolvation of Protonated Glycine: Infrared Spectra from Data-Driven Quantum Many-Body Simulations.

Understanding how hydration reshapes the structure and conformational flexibility of biomolecular ions is essential for connecting gas-phase spectroscopy to behavior in aqueous environments. Glycine, the simplest amino acid, exhibits rich microsolvation behavior, with competing intra- and intermolecular hydrogen-bondin...

Zoe A. Solomon, R. Rashmi, Ruihan Zhou et al. · 0 citations
Open access Jun 2026

Computational Redesign of an Antifreeze Protein Using Deep Learning

Deep learning-based protein design methods are used to redesign the globular fish antifreeze protein AFPIII, keeping the previously reported ice-binding residues fixed, highlighting the value of deep learning-based protein design methods both for generating AFP variants with desirable properties and for uncovering gaps...

Cianna N. Calia, Arthur J. Altunc, Rosemary J. Eufemio et al. · 0 citations

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