Bridging Implicit and Explicit Solvent Approaches for Membrane Electrostatics
نویسندگان
چکیده
منابع مشابه
Bridging implicit and explicit solvent approaches for membrane electrostatics.
Conformations of a zwitterionic bilayer were sampled from a molecular dynamics simulation and their electrostatic properties analyzed by solution of the Poisson equation. These traditionally implicit electrostatic calculations were performed in the presence of varying amounts of explicit solvent to assess the magnitude of error introduced by a uniform dielectric description of water surrounding...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2002
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(02)73908-8