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  1. 1
    Computational insights into the inhibition of β-haematin crystallization by antimalarial drugs

    Computational insights into the inhibition of β-haematin crystallization by antimalarial drugs von Delpe Acharige, Anjana M D S, Brennan, Mark P C, Lauder, Kate, McMahon, Fiona, Odebunmi, Adesola O, Durrant, Marcus C


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  2. 2
    An atomic scale mechanism for the antimalarial action of chloroquine from density functional theory calculations

    An atomic scale mechanism for the antimalarial action of chloroquine from density functional theory calculations von Acharige, Anjana M. D. S. Delpe, Durrant, Marcus C.


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  3. 3
    Computational insights into the inhibition of β-haematin crystallization by antimalarial drugsElectronic supplementary information (ESI) available: Atomic coordinates, energies and electronic spins at Fe for all DFT models; pictures of complexes not given in Fig. 1 and 6; pictures of all surface coverage models; shared surface area data used to construct Fig. 2 and 5; comparison of free drug surface areas versus β-haematin {001} face surface coverage. See DOI: 10.1039/c8dt03369b

    Computational insights into the inhibition of β-haematin crystallization by antimalarial drugsElectronic supplementary information (ESI) available: Atomic coordinates, energies and... von Delpe Acharige, Anjana M. D. S, Brennan, Mark P. C, Lauder, Kate, McMahon, Fiona, Odebunmi, Adesola O, Durrant, Marcus C


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