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Alle rechten voorbehouden. Niets uit deze uitgave mag worden vermenigvuldigd en/of openbaar gemaakt worden door middel van druk, fotokopie, microfilm, elektronisch of op welke andere wijze ook zonder voorafgaande schriftelijke toestemming van de uitgever.All rights reserved. No part of the publication may be reproduced in any form by print, photoprint, microfilm, electronic or any other means without written permission from the publisher. ABSTRACT vii NS) equations, which self-consistently consider the finite size of the ions, and the influence of both the ionic strength and the nanoscopic scale of the pore on the local properties of the electrolyte. By numerically solving the ePNP-NS equations for a computationally efficient model of ClyA, we were able to simulate the nanofluidic properties of the pore for a wide range of experimentally relevant bias voltages and salt concentrations. We found the simulated ionic conductivities to be in excellent agreement with their experimentally measured counterparts, suggesting that our model is physically accurate. Hence, we used our simulations to provide detailed insights into the true ion selectivity, the ion concentration distributions, the electrostatic potential landscape, the magnitude of the electro-osmotic flow field, and the internal pressure distribution. As such, the ePNP-NS equations provide a means to obtain fundamental new insights into the nanofluidic properties of biological nanopores and paves the way towards their rational engineering. Beknopte samenvatting List of AbbreviationsΦ29p Φ29 packaging motor 10 αHL α-hemolysin 10 7R-αHL αHL variant with the mutations M113R, T115R, T117R, G119R, N121R, N123R, T125R 63 ABEL anti-Brownian electrokinetic 103 AeL aerolysin 50 AFM atomic force microscopy 5 APBS adaptive Poisson-Boltzmann solver 14 BC boundary condition 153 BD Brownian dynamics 48, 54 BNP biological nanopore 8 BSA bovine serum albumin 76 CD circular dichroism 19 CHARMM36 chemistry at Harvard macromolecular mechanics force field version 36 71 ClyA cytolysin A 10 ClyA-AS S. typhi wild-type ClyA variant with the mutations C87A,