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 traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

The coarse-grained Martini force field is widely used in biomolecular simulations. Here we
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …

Eukaryotic cells can undergo different forms of programmed cell death, many of which
culminate in plasma membrane rupture as the defining terminal event,,,,,–. Plasma …

The signaling of cells by scaffolds of synthetic molecules that mimic proteins is known to be
effective in the regeneration of tissues. Here, we describe peptide amphiphile …

We identify hardware that is optimal to produce molecular dynamics (MD) trajectories on
Linux compute clusters with the GROMACS 2018 simulation package. Therefore, we …

Disordered proteins and nucleic acids can condense into droplets that resemble the
membraneless organelles observed in living cells. MD simulations offer a unique tool to …

Cell membranes contain hundreds of different proteins and lipids in an asymmetric
arrangement. Our current understanding of the detailed organization of cell membranes …

Human induced pluripotent stem cell (hiPSC) technologies offer a unique resource for
modeling neurological diseases. However, iPSC models are fraught with technical …

In this contribution, for the first time, the molecular n‐doping of a donor–acceptor (D–A)
copolymer achieving 200‐fold enhancement of electrical conductivity by rationally tailoring …