Membrane proteins perform a host of vital cellular functions. Deciphering the molecular
mechanisms whereby they fulfill these functions requires detailed biophysical and structural …

This paper reviews various enhanced conformational sampling methods and explicit/implicit
solvent/membrane models, as well as their recent applications to the exploration of the …

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 …

Interaction between transmembrane helices often determines biological activity of
membrane proteins. Bitopic proteins, a broad subclass of membrane proteins, form dimers …

An H-bond involves the sharing of a hydrogen atom between an electronegative atom to
which it is covalently bound (the donor) and another electronegative atom serving as an …

Solute carriers form one of three major superfamilies of membrane transporters in humans,
and include uniporters, exchangers and symporters. Following several decades of …

The Bcl-2 protein family comprises both pro-and antiapoptotic members that control the
permeabilization of the mitochondrial outer membrane, a crucial step in the modulation of …

Membrane proteins evolved to reside in the hydrophobic lipid bilayers of cellular
membranes. Therefore, membrane proteins bridge the different aqueous compartments …

Bicelles are model membranes generally made of long-chain
dimyristoylphosphatidylcholine (DMPC) and short-chain dihexanoyl-PC (DHPC). They are …

Receptor tyrosine kinases of the human epidermal growth factor receptor (HER or ErbB)
family transduce biochemical signals across plasma membrane, playing a significant role in …