Welcome to the Bio-KT Group
Bio-KT Group operates within the Donostia Kimika Teorikoa Laboratory and focuses on theoretical chemistry tools for biologically relevant molecules, recognition processes, conformational dynamics and reactive systems. The subgroup now follows the same shared landing structure used across the KT migration.
The diagram on the right points to three broad research directions that can later unfold into more specific project pages.
Research Lines

Condensates and IDPs
Intrinsically disordered proteins and biomolecular condensates
How disordered proteins interact, from coupled folding and binding to biomolecular condensates.
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Protein–Metal Interactions
Quantum mechanics of protein–metal interactions
How aluminium and other metal ions bind peptides and reshape their conformations.
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Enzyme Immobilisation
Coarse-grained simulations of immobilised enzymes
Coarse-grained simulations of how enzymes orient when immobilised on surfaces.
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