> Corry Group



B Corry. Mechanisms of selective ion transport and salt rejection in carbon nanostructures. MRS Bulletin. 42: 306-310 2017. Online manuscript
R Chen, A Buyan, B Corry. Voltage-gated sodium channel pharmacology - Insights from molecular dynamics simulations. Adv. Pharmacol. In Press
Q Cheng, N Shah, A Broer, S Fairweather, Y Jiang, D Schmoll, B Corry, S Broer. Identification of novel inhibitors of the amino acid transporter B0AT1 (SLC6A19), a potential target to induce protein restriction and to treat type 2 diabetes. British J. Pharmacol. 174: 468-482, 2017. Online manuscript


B Corry. Computer Simulation of Ion Channels, in Computational Biophysics of Membrane Proteins, C. Domene (Ed.) Royal Soc. Chem. 2016, 161-196. Online book
N Bavi, MD Cortes, C Cox, P Rohde, W Liu, J Deitmer, O Bavi, P Strop, A Hill, D Rees, B Corry, E Perozo, and B Martinac. Role of the N-terminal helix in the gating of MscL indicates a blueprint for bilayer-mediated gating of mechanosensitive channels Nature Commun., 7:11984, 2016. Online manuscript
NE Smith, B Corry. Mutant bacterial sodium channels as models for local anaesthetic block of eukaryotic proteins Channels, 10:225-237 2016. Online manuscript
V Agarwal, P Toshniwal, NE Smith, NM Smith, B Li, T Clemons, L Byrne, F Kakulas, F Wood, M Fear, B Corry, S Iyer. Enhancing the Efficacy of Cation-Independent Mannose 6- Phosphate Receptor Inhibitors by Intracellular Delivery. Chem Commun., 52: 327-330, 2016. Online manuscript
M Thomas, B Corry. A Computational Assessment of the Permeability and Salt Rejection of Carbon Nanotube Membranes and their Application to Water Desalination. Phil. Trans., 374: 20150020, 2016. Online manuscript


B Corry. Long Timescale Molecular Dynamics Simulations for Understanding Ion Channel Function. In Pumps, Channels and Transporters: Methods of Functional Analysis RJ Clarke and MAA Khalid (eds) Wiley 2015, ISBN 1119085136, 9781119085133
Søndergaard, M Aznauryan, E Haustrup, B Schiøtt, V Birkedal, B Corry. Dynamics of fluorescent dyes attached to G-quadruplex DNA and the effect on FRET experiments. ChemPhysChem, 16: 2562-1570 2015. Online manuscript
K Walczewska-Szewc, E Deplazes, B Corry. A Comparison of the Ability of enhanced sampling molecular dynamics to reproduce the behaviour of fluorescent labels on proteins. J. Chem. Theo. Comput., 11: 3455-3465, 2015. Online Manuscript
M Li, D Jazayeri, B Corry, M McSweeney, EL Heinzen, DB Goldstein, S Petrou. A functional correlate of severity in alternating hemiplegia of childhood. Neurobiology of Disease , 77: 88-93, 2015. Online Manuscript
M Thomas, B Corry, SH Chung, TA Hilder. Modelling selective transport and desalination in nanotubes, in Nanotubes and Nanosheets: Functionalization and Applications of Boron Nitride and other Nanomaterials, Ed Yang Chen. 2015.


K Walczewska-Szewc, B Corry. Do bifunctional labels solve the problem of dye diffusion in FRET analysis? Phys Chem Chem Phys. 16: 18949-18954, 2014. Online manuscript
LJ Martin, B Corry. Locating the route of entry and binding sites of benzocaine and phenytoin in a bacterial voltage gated sodium channel. PLoS Comp. Biol. , 10(7): e1003688. Online manuscript
K Walczewska-Szewc, B Corry. Accounting for dye diffusion and orientation when relating FRET measurements to distances: three simple computational methods. Phys Chem Chem Phys. 16: 12317-12326, 2014. Online manuscript
M Thomas, B Corry. Thermostat Choice Significantly Influences Water Flow Rates in Molecular Dynamics Studies of Carbon Nanotubes. Microfuidics and Nanofluidics. 18:41-47, 2015. Online manuscript
B Corry, S Lee, CA Ahern. Pharmacological Insights and quirks of bacterial sodium channels. Handbook of Experimental Pharmacology. 221: 251-268, 2014. Online manuscript
NE Smith, A Vrielink, PV Attwood, B Corry. Binding and Channelling of Alternative substrates in the Enzyme DmpFG: A Molecular Dynamics Study. Biophys. J. 106:1681-1690, 2014. online manuscript
NM Smith, K Swaminathan Iyer, B Corry. The Confined Space Inside Carbon Nanotubes Can Dictate The Stereo- And Regioselectivity of Diels-Alder Reactions. Phys Chem Chem Phys , 16, 6986-6989, 2014. online manuscript
J Kaczmarski, B Corry, Investigating the size and dynamics of voltage-gated sodium channel fenestrations: a molecular dynamics study. Channels , 8: 264-277, 2014. online manuscript
Z He, B Corry, X Lu, J Zhou. A mechanical nanogate based on a carbon nanotube for reversible control of ion conduction. Nanoscale , 16: 6986-6989, 2014. online manuscript
LJ Martin, R Chao, B Corry. Molecular dynamics simulation of the partitioning of benzocaine and phenytoin into a lipid bilayer. Biophys Chem , 185: 98-107, 2014. online manuscript
M Thomas, B Corry, T Hilder. What Have We Learnt About the Mechanisms of Rapid Water Transport, Ion Rejection and Selectivity in Nanopores From Molecular Simulation? Small , 10: 1453-1465, 2014. online manuscript
T Hilder, B Corry, SH Chung. Multi- versus single-ion conduction mechanisms can yield current rectification in biological ion channels. J Biol Phys , 40: 109-119, 2014. online manuscript


Z He, J Zhou, X Lu, B Corry. Bioinspired Graphene Nanopores with Voltage-Tunable Ion Selectivity for Na+ and K+. ACS Nano , 7: 10148-10157, 2013. online manuscript   Highlight
NE Smith, WJ Tie, GR Flematti, KA Stubbs, B Corry, PV Attwood, A Vrielink. Mechanism of the Dehydrogenase Reaction of DmpFG and Analysis of Inter-Subunit Channeling Efficiency and Thermodynamic Parameters in the Overall Reaction. Int. J. Biochem. Cell Biol., 45: 1878-1885, 2013. online manuscript
Z He, J Zhou, X Lu, B Corry. Ice-like Water Structure in Carbon Nanotube (8,8) Induces Cationic Hydration Enhancement. J. Phys. Chem. C , 117: 11412–11420, 2013. online manuscript
S Mustafa, J Hannagan, P Rigby, K Pfleger, B Corry. Quantitative FRET efficiency measurements using simultaneous spectral unmixing of excitation and emission spectra. J. Biomed. Optics., 18: 026024, 2013. online manuscript   Highlight
M Thomas, D Jayatilaka, B Corry. An entropic mechanism of generating selective ion binding in macromolecules. PLoS Comp Biol, 9: e1002914, 2013. online manuscript
B Corry, C Cranfield, B Martinac. Structure and physiological role of ion channels studied by fluorescence spectroscopy. Encyc. Anal. Chem. 2013. 1-26 online manuscript
L Richards, B Richards, B Corry, A Schaefer. Experimental Energy Barriers to Anions Transporting through Nanofiltration Membranes. Env. Sci. Tech., 47: 1968–1976, 2013. online manuscript
B Corry. Na+ / Ca2+ selectivity in the bacterial voltage-gated sodium channel NavAb. PeerJ, 1:e16, 2013. online manuscript
A Nemkevich, M Spackman, B Corry. Simulations of guest transport in clathrates of Dianin's compound and hydroquinone. Chem Eur J, 19: 2676–2684, 2013. online manuscript   Highlight
M Thomas, D Jayatilaka, B Corry. How does overcoordination create ion selectivity? Biophys Chem, 172: 37-42, 2013. online manuscript


E Deplazes, M Louhivuori, D Jayatilaka, SJ Marrink, B Corry. Structural investigation of MscL gating using experimental data and coarse grained MD simulations. PLoS Comp Biol, 8:e1002683, 2012. online manuscript   Highlight
B Corry, NM Smith. The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA. Chem Commun, 48: 8958-8960, 2012. online manuscript   pdf   Highlight
L Richards, A Schaefer, B Richards, B Corry. Quantifying barriers to monovalent anion transport in narrow non-polar pores. Phys Chem Chem Phys, 14: 11633-11638, 2012. online manuscript   pdf
B Corry, M Thomas. Mechanism of ion permeation and selectivity in a voltage gated sodium channel. J Am Chem Soc, 134: 1840-1846, 2012. online manuscript   Highlight
L Richards, A Schaefer, B Richards, B Corry. The importance of dehydration in determining ion transport in narrow pores. Small, 8: 1701-1709, 2012. online manuscript
N Smith, A Vrielink, P Attwood, B Corry. The biological channeling of a reactive intermediate in the bifunctional enzyme DmpFG. Biophys J, 102: 868-877, 2012. online manuscript
A Nemkevich, B Corry, M Spackman. Computational study of methyl group dynamics in the hydroquinone clathrate of acetonitrile. Phys Chem Chem Phys, 14: 1570-1572, 2012. online manuscript   pdf
E Deplazes, D Jayatilaka, B Corry. ExiFRET: A flexible tool for understanding FRET in complex geometries. J Biomed Optics, 17: 011005, 2012. online manuscript


A Nemkevich, M Spackman, B Corry. Mechanism of concerted hydrogen bond reorientation in clathrate's of Dianin's compound and hydroquinone. J Am Chem Soc, 83: 18880-18888, 2011. online manuscript   Highlight
M Majumder, B Corry. Anomalous Decline of Water Transport in Covalently Modified Carbon Nanotube Membranes. Chem Commun, 47: 7683-7685, 2011. pdf
C Song, B Corry. Testing the applicability of Nernst-Planck theory in ion channels: Comparisons with Brownian dynamics simulations. PLoS One, 6: e21204, 2011. online manuscript
E Deplazes, D Jayatilaka, B Corry. Testing the use of molecular dynamics to simulate fluorophore motions and FRET, Phys Chem Chem Phys, 13: 11045-11054, 2011. pdf
NM Smith et al. Unraveling the relationship between structure and stabilization of triarylpyridines as G-quadruplex binding ligands. Org. Biomol. Chem., 9: 6154-6162, 2011.
B Corry. Water and ion transport through functionalised carbon nanotubes: implications for desalination technology. Energy Env Sci, 4: 751-759, 2011. pdf
M Thomas, D Jayatilaka, B Corry. Mapping the Importance of Four Factors in Creating Monovalent Ion Selectivity in Biological Molecules. Biophys. J. 100: 60-69, 2011. pdf , supp info   Highlight


RA Ruhayel, B Corry, C Braun, DS Thomas, SJ Berners-Price, NP Farrell. Determination of the Kinetic Profile of a Dinuclear Platinum Anticancer Complex in the Presence of Sulfate: Introducing a New Tool for the Expedited Analysis of 2D [H-1, N-15] HSQC NMR Spectra. Inorg. Chem. 49: 10815-10819, 2010. pdf
A Nemkevich, HB Burgi, MA Spackman, B Corry. Molecular dynamics simulations of structure and dynamics of organic molecular crystals. Phys Chem Chem Phys, 45: 14916-14929, 2010. pdf
B Corry, AC Hurst, P Pal, T Nomura, P Rigby, B Martinac. An improved open channel structure of MscL determined from FRET confocal microscopy and simulation. J Gen Physiol. 136: 483-494, 2010. pdf   Highlight
H Xie, LA Ho, MS Truelove, B Corry, SG Stewart. Fluorescent triphenyl substituted maleimide derivatives: synthesis, spectroscopy and quantum chemical calculations. J Fluoresc. 20:1077-85, 2010. pdf
C Song, B Corry. Ion conduction in ligand gated ion channels: Brownian dynamics studies of four recent crystal structures. Biophys. J. 98: 404-411, 2010. pdf   Highlight


C Song, B Corry. An intrinsic ion selectivity of narrow hydrophobic pores. J. Phys. Chem. B. 113: 7642-7649, 2009. pdf
C Song, B Corry. Role of acetylcholine receptor domains in ion selectivity. Biochim. Biophys. Acta. 1788: 1466-1473, 2009. pdf
C Song, B Corry. Computational study of the transmembrane domain of the acetylcholine receptor. Eur. Biophys. J. 38: 961-970, 2009. pdf
NM Smith, B Corry, K Swaminathan Iyer, M Norret, CL Raston. A microfluidic platform to synthesise a G-quadruplex binding ligand. Lab on a Chip, 9:2021-2025, 2009. pdf
B Dittrich, JE Warran, FPA Fabbiani, W Morgenroth, B Corry. Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation, Phys. Chem. Chem. Phys., 11: 2601-209, 2009. pdf


T Vora, B Corry, SH Chung. Brownian dynamics study of flux ratios in sodium channels. Eur. Biophys. J. 38: 45-52, 2008. pdf
B Corry, D Jayatilaka. Simulation of structure, orientation and energy transfer between AlexaFluor molecules attached to MscL. Biophys. J. 95:2711-2721, 2008. pdf
B Corry. Designing carbon nanotube membranes for efficient water desalination. J. Phys. Chem. B. 112:1427-1434. 2008. pdf Cover picture   Highlight
B Corry, B Martinac. Bacterial mechanosensitive channels: Experiment and theory. Biochim. Biophys. Acta. 1778:1859-1870, 2008. pdf
B Corry, B Martinac. Computational studies of bacterial mechanosensitive channels. In: Mechanosensitive Ion Channels (A Kamkin and I Kiseleva Eds) Springer, New York, 2008. pdf


M Thomas, D Jayatilaka, B Corry. The predominant role of coordination number in potassium channel selectivity. Biophys. J. 93:2635-2643, 2007. pdf
SH Chung, B Corry. Conduction properties of KcsA measured using Brownian dynamics with flexible carbonyl groups in the selectivity filter. Biophys. J. 93:44-53, 2007. pdf Cover picture
L Hool, B Corry. Redox Control of Calcium Channels: From Mechanisms to Therapeutic Opportunities. Antioxidants & Redox Signaling. 9:409-435, 2007. pdf


B Corry, SH Chung. Mechanisms of valence selectivity in biological ion channels. Cellular and Molecular Life Sciences. 63: 301-315, 2006. pdf
B Corry. An energy efficient gating mechanism in the acetylcholine receptor channel suggested by molecular and Brownian dynamics. Biophys. J. 90: 799-810, 2006. pdf
T Vora, B Corry, SH Chung. Brownian dynamics investigation into the conductance state of the MscS channel crystal structure. Biochim. Biophys. Acta. 1758:730-737, 2006. pdf
B Corry, D Jayatilaka, B Martinac, P Rigby. Determination of the orientational distribution and orientation factor for transfer between membrane bound fluorophores using a confocal microscope. Biophys. J. 91:1032-1045, 2006. pdf   Highlight
B Corry. Understanding ion channel selectivity and gating and their role in cellular signalling. Mol. BioSyst. 2:527-535 2006. pdf Cover picture
B Corry, L Hool. Calcium channels. In: Biological membrane Ion channels: Dynamics Structure and Applications (eds. S.H. Chung, O.S. Andersen and V. Krishnamurthy) Springer, New York. Chapter 7 Pp 241-299. pdf


T Vora, B Corry, SH Chung. A Model of sodium channels. Biochim. Biophys. Acta, 1668, 106-116, 2005. pdf
B Corry, T Vora, SH Chung. Electrostatic basis of valence selectivity in cationic channels. Biochim. Biophys. Acta, 1711, 72-86, 2005. pdf
B Corry, SH Chung. Influence of protein flexibility on the electrostatic energy landscape in gramicidin A. Eur. Biophys. J. 34, 208-216, 2005. pdf
D Bisset, B Corry, SH Chung. The fast gating mechanism in ClC-0 channels. Biophys. J. 89:179 - 186, 2005. pdf
B Corry, D Jayatilaka, P Rigby. A flexible approach to the calculation of resonance energy transfer efficiency between multiple donors and acceptors in complex geometries. Biophys. J. 89:3822-3836, 2005. pdf
B Corry, P Rigby, ZW Liu, B Martinac. Conformational changes involved in MscL channel gating measured using FRET spectroscopy. Biophys. J. 89:L49-L51, 2005. pdf
SH Chung, B Corry. Three computational methods for studying permeation, selectivity and dynamics in biological ion channels. Soft Matter. 1: 417-427, 2005. pdf Cover picture


B Corry, M O'Mara, SH Chung. Conduction mechanisms of chloride ions in ClC-type channels. Biophys. J. 86, 846-860, 2004. pdf Cover picture
B Corry, M O'Mara, SH Chung. Permeation dynamics of chloride ions in the ClC-0 and ClC-1 channels. Chem. Phys. Lett. 386, 233-238, 2004. pdf
B Corry. Theoretical conformation of the closed and open states of the acetylcholine receptor channel. Biochim. Biophys. Acta, 1663, 2-5, 2004. pdf


B Corry, S Kuyucak, SH Chung. Dielectric Self -Energy in Poisson-Boltzmann and Poisson-Nernst-Planck Models of Ion Channels. Biophys. J., 84, 3594-3606, 2003. pdf


B Corry, M Hoyles, TW Allen, M Walker, S Kuyucak, SH Chung. Reservoir Boundaries in Brownian Dynamics Simulations of Ion Channels. Biophys. J. 82, 1975-1984, 2002. pdf
S Edwards, B Corry, S Kuyucak, SH Chung. Continuum electrostatics fails to describe ion permeation in the gramicidin channel. Biophys. J. 83, 1348-1360, 2002. pdf
B Corry. Simulation Studies of Biological Ion Channels. PhD Thesis . The Australian National University, 2002. part A , part B


B Corry, TW Allen, S Kuyucak, SH Chung. Mechanisms of Permeation and Selectivity in Calcium Channels. Biophys. J. 80, 195-214, 2001. pdf


B Corry, S Kuyucak, SH Chung. Invalidity of continuum theories of electrolytes in nanopores. Chem. Phys. Lett. 320, 35-41, 2000. pdf
G Moy, B Corry, S Kuyucak, SH Chung. Tests of continuum theories as models of ion channels: I. Poisson-Boltzmann theory versus Brownian dynamics. Biophys. J. 78, 2349-2363, 2000. pdf
B Corry, S Kuyucak, SH Chung. Tests of continuum theories as models of ion channels: II. Poisson-Nernst-Planck theory versus Brownian dynamics. Biophys. J. 78, 2364-2381, 2000. pdf
B Corry, TW Allen, S Kuyucak, SH Chung. A Model of Calcium Channels. Biochim. Biophys. Acta, 1509, 1-6, 2000. pdf


B Corry, S Kuyucak, SH Chung. Test of Poisson-Nernst-Planck theory of ion channels. J. Gen. Physiol. 114, 597-599, 1999. pdf
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