Blar i NTNU Open på forfatter "Krämer, Andreas"
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Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling
Riccardi, Enrico; Krämer, Andreas; van Erp, Titus Sebastiaan; Ghysels, An (Journal article, 2021)Several simulations strategies have emerged to predict the permeability of solutes across membranes, which is important for many biological or industrial processes such as drug design. The widespread inhomogeneous ...