The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

“The Tao begets the One. One begets all things of the world.” These words of wisdom from
Tao Te Ching are of great inspiration to scientists in polymer materials science and …

The effect of an externally applied directional force on molecular friction is so far poorly
understood. Here, we study the force-driven dissociation of the ligand-protein complex biotin …

SARS-CoV-2 is a global challenge due to its ability to mutate into variants that spread more
rapidly than the wild-type virus. Because the molecular biology of this virus has been studied …

Coarse-grained modeling has become an important tool to supplement experimental
measurements, allowing access to spatio-temporal scales beyond all-atom based …

Catch bonds are a rare class of protein-protein interactions where the bond lifetime
increases under an external pulling force. Here, we report how modification of anchor …

Martini 3 is a widely used coarse-grained simulation method for large-scale biomolecular
simulations. It can be combined with a Go̅ model to realistically describe higher-order …

The single-chain mechanics of three kinds of polymers (ie, polydimethylsiloxane,
polyoxymethylene, and poly (methyl methacrylate)) has been investigated from room …

Single‐molecule force spectroscopy (SMFS) is powerful for studying folding states and
mechanical properties of proteins, however, it requires protein immobilization onto force …

Rational design of novel antibody therapeutics against viral infections such as coronavirus
relies on surface complementarity and high affinity for their effectiveness. Here, we explore …