Calculating Kinetic Rates and Membrane Permeability from Biased Simulations

We present a simple approach to calculate the kinetic properties of lipid membrane crossing processes from biased molecular dynamics simulations. We demonstrate that by using biased simulations, one can obtain highly accurate kinetic information with significantly reduced computational time with res...

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Veröffentlicht in:	The journal of physical chemistry. B 2018-12, Vol.122 (49), p.11571-11578
Hauptverfasser:	Badaoui, Magd, Kells, Adam, Molteni, Carla, Dickson, Callum J, Hornak, Viktor, Rosta, Edina
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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