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 …

Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …

The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …

The Martini 3 force field is a full reparametrization of the Martini coarse-grained model for
biomolecular simulations. Due to the improved interaction balance, it allows for a more …

The MArtini Database (MAD-https://mad. ibcp. fr) is a web server designed for the sharing of
structures and topologies of molecules parametrized with the Martini coarse-grained (CG) …

Carbohydrates play an essential role in a large number of chemical and biochemical
processes. High structural diversity and conformational heterogeneity make it problematic to …

Coronaviruses, especially severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2),
present an ongoing threat to human wellbeing. Consequently, elucidation of molecular …

The mechanism of T cell antigen receptor (TCR-CD3) signaling remains elusive. Here, we
identify mutations in the transmembrane region of TCRβ or CD3ζ that augment peptide …

The covalent modification of proteins with polymers is a well-established method for
improving the pharmacokinetic properties of therapeutically valuable biologics. The …

Aqueous mixtures of oppositely charged polyelectrolytes and surfactants are useful in many
industrial applications, such as shampoos and hair conditioners. In this work, we investigate …