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Issue DateTitleAuthor(s)
2011-01-01Molecular-dynamics simulations of the ATP/apo state of a multidrug ATP-binding cassette transporter provide a structural and mechanistic basis for the asymmetric occluded stateJones, PM; George, AM
2017-04-11How Intrinsic Dynamics Mediates the Allosteric Mechanism in the ABC Transporter Nucleotide Binding Domain DimerJones, PM; George, AM
2017-05-01The voltage-sensitive dye RH421 detects a Na<sup>+</sup>,K<sup>+</sup>-ATPase conformational change at the membrane surfaceGarcia, A; Pratap, PR; Lüpfert, C; Cornelius, F; Jacquemin, D; Lev, B; Allen, TW; Clarke, RJ
2018-01-01A potential new, stable state of the E-cadherin strand-swapped dimer in solutionSchumann-Gillett, A; Mark, AE; Deplazes, E; O’Mara, ML
2016-03-15Computational analysis of the MCoTI-II plant defence knottin reveals a novel intermediate conformation that facilitates trypsin bindingJones, PM; George, AM
2016-10-01The effect of tethers on artificial cell membranes: A coarse-grained molecular dynamics studyHoiles, W; Gupta, R; Cornell, B; Cranfield, C; Krishnamurthy, V
2017-01-24Electrostatic Stabilization Plays a Central Role in Autoinhibitory Regulation of the Na<sup>+</sup>,K<sup>+</sup>-ATPaseJiang, Q; Garcia, A; Han, M; Cornelius, F; Apell, HJ; Khandelia, H; Clarke, RJ
2011-12-21The Plasmodium falciparum Malaria M1 alanyl aminopeptidase (PfA-M1): Insights of catalytic mechanism and function from MD simulationsJones, PM; Robinson, MW; Dalton, JP; George, AM
2021-02-02A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.Luo, Z; Morey, JR; Deplazes, E; Motygullina, A; Tan, A; Ganio, K; Neville, SL; Eleftheriadis, N; Isselstein, M; Pederick, VG; Paton, JC; Cordes, T; Harmer, JR; Kobe, B; McDevitt, CA
2017-02-27Molecular Simulations of Disulfide-Rich Venom Peptides with Ion Channels and Membranes.Deplazes, E
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