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Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi
2014
Journal of Computational Chemistry
For the purpose of this investigation, a new tool for modeling the electrostatic potential profile along the axis normal to the membrane, MEMPOT, was developed and implemented in DelPhi. ...
the presence of Ca 2+ ions which overcompensate for the negative potential created by lipid phosphate groups; and (b) correct modeling of the electrostatic potential profile across the membrane requires ...
The Delphi program with newly developed MEMPOT routine is freely available for download from http://www.compbio.clemson.edu/delphi.php. We thank Shannon Stefl for proofreading the manuscript. ...
doi:10.1002/jcc.23632
pmid:24799021
pmcid:PMC4057312
fatcat:2hbdiedm4reojoh5ezxqiaaqbi