Investigation of the hydration shell of a membrane in an open system molecular dynamics simulation
We analyze structural properties of hydration for a biological membrane with the open boundary adaptive resolution molecular dynamics approach in its latest version. A large region of noninteracting pointlike particles (tracers) acts as a reservoir of molecules and energy for the atomistically resol...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2019-11-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.1.033099 |