Setting up and optimization of membrane protein simulations.
In this paper we describe a method for setting up an atomistic simulation of a membrane protein in a hydrated lipid bilayer and report the effect of differing electrostatic parameters on the drift in the protein structure during the subsequent simulation. The method aims to generate a suitable cavit...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2002
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