The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …

Atomistic simulations play a central role in many fields of science. However, their usefulness
is often limited by the fact that many systems are characterized by several metastable states …

The emergence in late 2019 of the coronavirus SARS-CoV-2 has resulted in the
breakthrough of the COVID-19 pandemic that is presently affecting a growing number of …

Membrane ion channels are the fundamental electrical components in the nervous system.
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …

Biomolecular simulations are intrinsically high dimensional and generate noisy data sets of
ever-increasing size. Extracting important features from the data is crucial for understanding …

The expansion of computational power, better parameterization of force fields, and the
development of novel algorithms to enhance the sampling of the free energy landscapes of …

Molecular dynamics (MD) simulations are a powerful tool to follow the time evolution of
biomolecular motions in atomistic resolution. However, the high computational demand of …

The Ciona intestinalis voltage-sensing phosphatase (Ci-VSP) is a membrane protein
containing a voltage-sensing domain (VSD) that is homologous to VSDs from voltage-gated …

Potassium (K+) channels play vital roles in various physiological functions, including
regulating K+ flow in cell membranes, impacting nervous system signal transduction …

Conventional electric stimuli of micro-and millisecond duration excite or activate cells at
voltages 10–100 times below the electroporation threshold. This ratio is remarkably different …