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...

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Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид:	Domański, J, Hedger, G, Best, R, Stansfield, P, Sansom, M
Формат:	Journal article
Хэвлэсэн:	American Chemical Society 2016

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