Author

Abraham Muñiz-Chicharro

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#diffusion models Open access Nov 2026

Multiscale Brownian dynamics simulations reveal effects of macromolecular crowding on protein-ligand association.

Macromolecular crowding is known to influence the diffusive, binding, kinetic, and equilibrium properties of proteins in a range of environments such as occur inside biological cells or in highly concentrated solutions of protein therapeutics. However a quantitative understanding of the effects of macromolecular crowdi...

Riccardo Beccaria, Abraham Muñiz-Chicharro, R. Wade · Proceedings of the National... · 0 citations

Open access Aug 2026

Prot2Surf: fast analysis of protein–surface binding modes

Prot2Surf was tested using catalytic domains of the lytic polysaccharide monooxygenases, interacting with native surfaces, showing that the software can efficiently analyze key binding features, including protein–surface distances, distances between catalytically reactive atoms, and the orientation angle between surfac...

Abraham Muñiz-Chicharro, Gamze Tanriver, Artur Góra · bioRxiv · 0 citations