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

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...

Полное описание

Библиографические подробности
Главные авторы:	Domański, J, Hedger, G, Best, R, Stansfield, P, Sansom, M
Формат:	Journal article
Опубликовано:	American Chemical Society 2016

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