Langmuir : the ACS journal of surfaces and colloidsLipid BilayersMagnesiumPhosphatidylcholinesMolecular Dynamics Simulation
Alteration of the Lipid Bilayer Structure by Mg2.
Matthew Saunders, Sagar A Pandit, Sameer Varma
Published: 202610.1021/acs.langmuir.5c04665
Abstract
Developing molecular mechanics force fields to model interactions of biological membranes with Mg2+ cations is challenging. There are no direct estimates of the binding modes of Mg2+ ions with lipid headgroups or other phosphates in the condensed pha…
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