Coarse-grained and all-atom MD simulations with Gromacs based on CELLmicrocosmos 2.2 model membranes
2011
Improved Membrane Simulations with CmME and Gromacs
publication
Author Information
Author(s): Sommer B, Dingersen T, Gamroth C, Heissmann AJ, Lukat G, Rotzoll R, Rubert S, Schäfer A, Krüger J
Primary Institution: Bielefeld University
Conclusion
The study presents an improved workflow for simulating membrane structures using the CELLmicrocosmos MembraneEditor and Gromacs.
Supporting Evidence
- The CELLmicrocosmos MembraneEditor allows for quick generation of membrane structures.
- New features include tools for repositioning membranes and analyzing lipid distributions.
Takeaway
This study shows how scientists can better simulate cell membranes using new tools that make the process faster and easier.
Methodology
The study involves generating PDB-based membrane structures and simulating them using Gromacs with both all-atom and coarse-grained approaches.
Digital Object Identifier (DOI)
Want to read the original?
Access the complete publication on the publisher's website