Projects
Current Projects
Generating Highly Designable Proteins with Geometric Algebra Flow Matching
Generating structurally diverse and physically realizable protein backbones remains one of the grand challenges in protein design. We propose a generative …
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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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