Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association

Potential of mean force (PMF) calculations are used to characterize the free energy landscape of protein-lipid and protein-protein association within membranes. Coarse-grained simulations allow binding free energies to be determined with reasonable statistical error. This accuracy relies on defining...

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Váldodahkkit: Domański, J, Hedger, G, Best, R, Stansfield, P, Sansom, M
Materiálatiipa: Journal article
Almmustuhtton: American Chemical Society 2016