Cover Feature: Full-Atom Model of the Agonist LPS-Bound Toll-like Receptor 4 Dimer in a Membrane Environment (Chem. Eur. J. 62/2021) Keywords: membrane proteins; molecular dynamics; molecular modeling; molecular recognition; Toll-like receptors EN membrane proteins molecular dynamics molecular modeling molecular recognition Toll-like receptors 15274 15274 1 11/09/21 20211105 NES 211105 B Computational full-atom models b of the agonist lipopolysaccharide (LPS)-bound Toll-like receptor 4 (TLR4) embedded into a realistic plasma membrane reveal dynamic functional and structural insights of the TLR4 activation and signaling across the membrane, the ectodomain bouncing movement, and dimerization patterns (symmetric and asymmetric) of the intracellular Toll/interleukin-1 receptor (TIR) domain. Membrane proteins, molecular dynamics, molecular modeling, molecular recognition, Toll-like receptors. [Extracted from the article]