Tools based on artificial intelligence (AI) are currently revolutionising many fields, yet their
applications are often limited by the lack of suitable training data in programmatically …

In the last quarter-century, the field of molecular dynamics (MD) has undergone a
remarkable transformation, propelled by substantial enhancements in software, hardware …

Cholesterol plays a crucial role in biomembranes by regulating various properties, such as
fluidity, rigidity, permeability, and organization of lipid bilayers. The latest version of the …

Conspectus Light is ubiquitously available to probe the structure and dynamics of
biomolecules and biological tissues. Generally, this cannot be done directly with visible light …

Cholesterol is a major component of plasma membranes and plays a significant role in
actively regulating the functioning of several membrane proteins in humans. In this study, we …

Owing to the increase of available computational capabilities and the potential for providing
a more accurate description, polarizable molecular dynamics force fields are gaining …

Curvature emerges as a fundamental membrane characteristic crucial for diverse biological
processes, including vesicle formation, cell signaling, and membrane trafficking …

Oxidized lipids arising from oxidative stress are associated with many serious health
conditions, including cardiovascular diseases. For example, KDdiA-PC and KOdiA-PC are …

Contrast agents are important imaging probes in clinical MRI, allowing the identification of
anatomic changes that otherwise would not be possible. Intensive research on the …

The exposure of mRNA to water is likely to contribute to the instability of RNA vaccines upon
storage under nonfrozen conditions. Using atomistic molecular dynamics (MD) simulations …