Diffraction-Based Density Restraints for Membrane and Membrane-Peptide Molecular Dynamics Simulations

We have recently shown that current molecular dynamics (MD) atomic force fields are not yet able to produce lipid bilayer structures that agree with experimentally-determined structures within experimental errors. Because of the many advantages offered by experimentally validated simulations, we hav...

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Bibliographic Details
Main Authors: Benz, Ryan W., Nanda, Hirsh, Castro-Román, Francisco, White, Stephen H., Tobias, Douglas J.
Format: Artigo
Language:Inglês
Published: Biophysical Society 2006
Subjects:
Biophysical Theory and Modeling
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC1630481/
https://ncbi.nlm.nih.gov/pubmed/16950837
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.084483
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