In this article we review current understanding of basic principles for the folding of
membrane proteins, focusing on the more abundant alpha-helical class. Membrane …

Membrane protein function is regulated by the lipid bilayer composition. In many cases the
changes in function correlate with changes in the lipid intrinsic curvature (c 0), and c 0 is …

Chirality is ubiquitous in nature, and homochirality is manifested in many biomolecules.
Although β‐double helices are rare in peptides and proteins, they consist of alternating L …

Gramicidin A (gA) is a short β-helical peptide known to form conducting channels in lipid
membranes because of transbilayer dimerization. The gA conducting dimer, being shorter …

1Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA,
USA, 2Department of Biochemistry and Biophysics, Washington University in St. Louis, St …

We investigated gramicidin A (gA) subunit dimerization in lipid bilayers using microsecond-
long replica-exchange umbrella sampling simulations, millisecond-long unbiased molecular …

A number of highly curved membranes in vivo, such as epithelial cell microvilli, have the
relatively high sphingolipid content associated with" raft-like" composition. Given the much …

Membrane protein functions can be altered by subtle changes in the host lipid bilayer
physical properties. Gramicidin channels have emerged as a powerful system for elucidating …

Using a recently developed binary bilayer system (BBS) consisting of two patches of laterally
contacting bilayers, umbrella sampling molecular dynamics (MD) simulations were …

The relative curvature energetics of two lipids are tested using thermodynamic integration
(TI) on four topologically distinct lipid phases. Simulations use TI to switch between choline …