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 …

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 …

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 …

Intrinsically disordered Proteins

Intrinsically disordered proteins (IDPs) are a new class of proteins that lack secondary and tertiary structures and instead explore a broad …

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. …

Mechanokinases

Kinases are abundantly present in all cells and involved in the regulation of many important processes, such as cell survival, growth, …

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 …

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 …

Emulation in simulation

“Emulation in simulation” combines HITS’ expertise in computational statistics and numerical simulation to develop a new generation of surrogate model tools. …

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 …

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 …

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. …

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 …

Mechano(bio)chemistry

Chemical and enzymatic reactions can be guided by mechanical stress. While single molecule force spectroscopy is an emerging technique to study …

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 …