Table of Contents
The Role of Valinomycin in Potassium Transport
Acknowledgements
Valinomycin
Valinomycin
K+ Valinomycin Complex
Valinomycin - Twisted Bracelet
Valinomycin - Twisted Propellar
Valinomycin Force Field
Force Field Verification
Force Field Tests - Conclusions
Valinomycin in LJ Solvent
Valinomycin in SPC Water
VM and [K+-VM] in LJ Solvent
K+-Valinomycin in LJ Solvent
Valinomycin in SPC Water
K+-Valinomycin Decomplexation (i)
K+-Valinomycin Decomplexation (ii)
Membrane Simulation Setup
Valinomycin/Membrane Simulation
Membrane Density Profile
Potassium Coordination K-VM2
Potassium Coordination K-VM3
Potassium Coordination K-VM4
Conclusions
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Author: Authorized User
Email: w.smith@dl.ac.uk
Other information:
Computational Science and Engineering
CCLRC Daresbury Laboratory
Daresbury
Warrington WA4 4AD
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