Work

GridMAT‐MD: A grid‐based membrane analysis tool for use with molecular dynamics

Year: 2008

Type: article

Abstract: GridMAT-MD is a new program developed to aid in the analysis of lipid bilayers from molecular dynamics simulations. It reads a GROMACS coordinate file and generates two types of data: a two-dimensional contour plot depicting membrane thickness, and a polygon-based tessellation of the individual lipid headgroups. GridMAT-MD can also account for proteins or small molecules within the headgroups of the lipids, closely approximating their occupied lateral area. The program requires no installation, is fast, and is freely available.

Source: Journal of Computational Chemistry

DOI: 10.1002/jcc.21172

Authors: William J. Allen, Justin A. Lemkul, David R. Bevan

Institution: Virginia Tech

Language: English

Topic: Lipid Membrane Structure and Behavior

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: bronze

Funders: National Science Foundation, Institute for Critical Technology and Applied Science, Division of Graduate Education

Award: Macromolecular Interfaces with Life Sciences:Oxidative Processes