Cholesterol has been conjectured to be a modulator of the amyloid cascade, the mechanism
that produces the amyloid-β (Aβ) peptides implicated in the onset of Alzheimer's disease …

Martini 3, the latest version of the widely used Martini force field for coarse-grained
molecular dynamics simulations, is a promising tool to investigate proteins in phospholipid …

Calculating the binding free energy of integral transmembrane (TM) proteins is crucial for
understanding the mechanisms by which they recognize one another and reversibly …

The accurate calculation of equilibrium constants for protein–protein association is of
fundamental importance to quantitative biology and remains an outstanding challenge for …

The equilibrium association of transmembrane proteins plays a fundamental role in
membrane protein function and cellular signaling. While the study of the equilibrium binding …

Structures and dynamics of transmembrane (TM) receptor regions are key to understanding
their signaling mechanism across membranes. Here we examine configurations of TM …

Membrane proteins play essential roles in various biological functions within the cell. One of
the most common functional regulations involves the dimerization of two single-pass …

Ferulic acid ethyl ester (FAEE) is an essential raw material for the formulation of drugs for
cardiovascular and cerebrovascular diseases and leukopenia. It is also used as a fixed …

Neurotrophin (NT) receptor signaling regulates neuronal survival, axonal and dendritic
network maintenance, differentiation, and synaptic plasticity. Signaling is initiated by NT …

Determination of the structure and dynamics of transmembrane (TM) regions of single-
transmembrane receptors is key to understanding their mechanism of signal transduction …