Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1944509 | Biochimica et Biophysica Acta (BBA) - Biomembranes | 2012 | 9 Pages |
Abstract
⺠The electric potential difference across the membrane must be incorporated in computer simulation using a well-validated methodology. ⺠A widely used treatment of the membrane potential in molecular dynamics consists in applying a constant electric field throughout the system. ⺠A series of test simulations based on simple models are carried out to clarify and illustrate the constant field method.
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Authors
James Gumbart, Fatemeh Khalili-Araghi, Marcos Sotomayor, Benoît Roux,