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 …

Traditional drug design requires a great amount of research time and developmental
expense. Booming computational approaches, including computational biology, computer …

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 …

The detailed understanding of the binding of small molecules to proteins is the key for the
development of novel drugs or to increase the acceptance of substrates by enzymes …

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 …

Alzheimer's disease (AD) is an irreversible, age-related progressive neurological disorder,
and the most common type of dementia in aged people. Neuropathological lesions of AD …

The misfolding and mutation of Cu/Zn superoxide dismutase (SOD1) is commonly
associated with amyotrophic lateral sclerosis (ALS). SOD1 can accumulate within stress …

Complex coacervates are liquid–liquid phase separated systems, typically containing
oppositely charged polyelectrolytes. They are widely studied for their functional properties …

Phosphoinositides (PIs) are lipid signaling molecules that operate by recruiting proteins to
cellular membranes via PI recognition domains. The dominant PI of the plasma membrane is …

Protein–protein complex assembly is one of the major drivers of biological response.
Understanding the mechanisms of protein oligomerization/dimerization would allow one to …