"*Use CHARMM-GUI to set up a membrane protein simulation for OpenMM.*\n", "1. Go to [CHARMM-GUI's membrane builder](http://www.charmm-gui.org/?doc=input/membrane) and ...

CHARMMing contains an integrated set of tools for uploading structures, performing simulations, and viewing the results. In order to provide the best possible user experience, it incorporates a number ...

CHARMM-GUI is a web-based graphical user interface (GUI) for CHARMM, a popular molecular dynamics (MD) simulation software package. CHARMM-GUI provides a variety of tools for building and preparing MD ...

† Department of Molecular Biosciences and Center for Bioinformatics, The University of Kansas, 2030 Becker Drive, Lawrence, Kansas 66047, United States ‡ Beckman Institute and Center for Biophysics ...

The newly-developed parameters allow for the modeling of linear, branched, and cyclic hexopyranose glycosides both alone and in heterogenous systems including proteins, nucleic acids and/or lipids ...

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 ...