Computational methods constitute efficient strategies for screening and optimizing potential
drug molecules. A critical factor in this process is the binding affinity between candidate …

Coarse-grained (CG) modelling with the Martini force field has come of age. By combining a
variety of bead types and sizes with a new map** approach, the newest version of the …

GLIC, a proton-activated prokaryotic ligand-gated ion channel, served as a model system for
understanding the eukaryotic counterparts due to their structural and functional similarities …

Pentameric ligand-gated ion channels (pLGICs) mediate synaptic transmission and are
sensitive to their lipid environment. The mechanism of phospholipid modulation of any …

Glycine receptors are pentameric ligand-gated ion channels that conduct chloride ions
across postsynaptic membranes to facilitate fast inhibitory neurotransmission. In addition to …

Membrane proteins and lipids play roles in regulating biological functions of cells. However,
the analysis of interactions between membrane proteins and lipids in biological membranes …

Glycine receptors (GlyRs) regulate motor control and pain processing in the central nervous
system through inhibitory synaptic signaling. The subtype GlyRα3 expressed in nociceptive …

Ligand-gated ion channels transduce electrochemical signals in neurons and other
excitable cells. Aside from canonical ligands, phospholipids are thought to bind specifically …

The ability of the Torpedo nicotinic acetylcholine receptor (nAChR) to undergo agonist-
induced conformational transitions requires the presence of cholesterol and/or anionic …

Glycine receptors are ligand-gated ion channels that mediate synaptic inhibition throughout
the mammalian spinal cord, brainstem, and higher brain regions. They have recently …