Filters








1 Hit in 2.7 sec

Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi

Roberta P. Dias, Lin Li, Thereza A. Soares, Emil Alexov
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