CHARMM-GUI <i>Bicelle Builder</i>: An Extension of <i>Membrane Builder</i> for Modeling and Simulation of Bicelle Systems.

ABSTRACT: Membrane mimetics, such as detergent micelles, nanodiscs, and amphipol complexes, which can provide membrane-like environments while retaining small and soluble features, have been utilized to study membrane proteins. A bicelle, composed of varying lipids and detergents, is a useful membrane mimetic because the lipid-to-detergent ratio, the q-value, can be adjusted to alter the properties of the aggregate, including the thickness and size of the bicelle. However, building a bicelle model for modeling and simulation studies requires nontrivial efforts, even for experts. We introduce CHARMM-GUI Bicelle Builder, a web-based platform that can generate various all-atom bicelle systems via a graphical user interface with all available lipids and detergents in Membrane Builder

SUBMITTER: Kim S 

PROVIDER: S-EPMC12264929 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature