Projects
Current Projects
Diffusion models for protein design
Generative deep learning has transformed protein design, enabling the creation of new protein structures, interactions, and functions with high precision, by …
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Mechanoradicals and DOPA in Collagen Tissue
– A role for dihydroxyphenylalanine (DOPA) as a marker of mechanical stress and radical scavenger in collagen – Collagen is responsible for the …
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Intrinsically disordered Proteins
Intrinsically disordered proteins (IDPs) are a new class of proteins that lack secondary and tertiary structures and instead explore a broad …
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Simulations of Collagen Failure and Mechanoradicals
It has been known for many decades that synthetic polymers subjected to mechanical stress generate mechanoradicals by rupture of chemical bonds. …
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Mechanokinases
Kinases are abundantly present in all cells and involved in the regulation of many important processes, such as cell survival, growth, …
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Force-triggered blood coagulation
Von Willebrand factor (VWF) is a giant multidomain extracellular blood protein in charge of a key adhesive process during hemostasis: the …
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Does the quality of writing influence the impact of scientific papers?
The importance and quality of a new discovery presented in a scientific article is often evaluated by the number of its …
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Emulation in simulation
“Emulation in simulation” combines HITS’ expertise in computational statistics and numerical simulation to develop a new generation of surrogate model tools. …
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Mechanical properties of silk
Silk is one of the many biomaterials with mechanical properties not yet reached by synthetic counterparts. Silk fibers have an outstanding …
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Mechanical properties of Nacre
Nacre, also known as mother-of-pearl, is a biocomposite located at the inner layer of seashells, with exceptional mechanical properties such as …
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Structure-based Drug design
Structure-based design methods have proven effective in every aspect of drug design – from lead discovery, development, through guiding clinical trials. …
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Force-driven allostery in proteins
Allostery in proteins plays a significant role such as cell signalling or gene and enzyme regulations. Allostery is characterized by a …
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Mechano(bio)chemistry
Chemical and enzymatic reactions can be guided by mechanical stress. While single molecule force spectroscopy is an emerging technique to study …
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Force distribution analysis (FDA)
Force distribution analysis (FDA) is a method to detect and follow force and stress propagation in proteins, reminiscent of Finite Element …
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