Inspired by biology, great progress has been made in creating artificial molecular motors.
However, the dream of harnessing proteins–the building blocks selected by nature–to …

Mechanoenzymes convert chemical energy from the hydrolysis of nucleotide triphosphates
to mechanical energy for carrying out cellular functions ranging from DNA unwinding to …

Simulations can help unravel the complicated ways in which molecular structure determines
function. Here, we use molecular simulations to show how slight alterations of a molecular …

We review recent progress in optimal control in stochastic thermodynamics. Theoretical
advances provide in-depth insight into minimum-dissipation control with either full or limited …

Over the past few decades, molecular machines have been extensively studied, since they
are composed of single molecules for functional materials capable of responding to external …

Light driven synthetic molecular motors represent crucial building blocks for advanced
molecular machines and their applications. A standing challenge is the development of very …

Influenza A viruses (IAVs) must navigate through a dense extracellular mucus to infect
airway epithelial cells. The mucous layer, composed of glycosylated biopolymers (mucins) …

Thermodynamic uncertainty relations (TURs) relate precision to the dissipation rate, yet the
inequalities can be far from saturation. Indeed, in catenane molecular motor simulations, we …

To design an artificial protein-based molecular motor that can autonomously step along a
track is a key challenge of protein design and synthetic biology. We lay out a roadmap for …

Computational photochemistry provides a description of light-induced chemical phenomena
reaching the molecular size-scale and femtosecond time-scale resolutions. In the period …