title: Data set for "On the interplay between lipids and asymmetric dynamics of an NBS degenerate ABC transporter"
author: Tóth, Ágota
description: Supplementary data from molecular dynamics simulations performed on different states of bMRP1 (IF apo, IF ATP- and/or LTX-bound, as well as OF ATP-bound states) and embedded in different lipid bilayer membranes (namely POPC, POPE, POPC:POPE (3:1), POPC-Chol (3:1) and POPC:POPE:Chol (2:1:1). Are included: - Initial and postMD data - MD inputs used - Raw source data used for plot (ABC structural parameters, H-bond and non-covalent analyses, lipid order parameters, and efficiencies from Allopath tool) - PCA supplementary movies (PC1)