Publications

2022

C Guardiani et al. Computational methods and theory for ion channel research Adv. Phys. X. In press, 2022. Online manuscript
A Hutchinson, JF Torres, B Corry. Modelling thermodiffusion in aqueous sodium chloride solutions - which water model is best? J. Chem . Phys. In press, 2022. Online manuscript
S Shafik, S Richards, B Corry and R Martin. Mechanistic basis for multidrug resistance and collateral drug sensitivity conferred on the malaria parasite by polymorphisms in PfMDR1 and PfCRT. PLoS Biology. In press, 2022. Online manuscript
Grant J. Brown, ... Josiah Bones, ... Ben Corry, Michael P. Gantier, Vicki Athanasopoulos and Carola G. Vinuesa. TLR7 gain-of-function genetic variation causes human lupus. Nature. In press, 2022. Online manuscript
E Tao, B Corry. Characterising fenestration size in sodium channel subtypes and their accessibility to inhibitors. Biophys. J. 121: 193-206, 2022. Online manuscript | Blogpost

2021

A Buyan, A Whitfield, B Corry. Binding of Local Anaesthetics and Anti-Epileptics to the inactivated human sodium channel Nav1.4. Biophys. J. 120: 5553, 2021. Online manuscript
YC Lin, A Buyan, B Corry. Computational studies of Piezo1 yield insights into key lipid-protein interactions, channel activation and agonist binding. Biophys. Rev. In press, 2021. Online manuscript
A Buyan, B Corry. Initiating Coarse-Grained MD Simulations for Membrane-Bound Proteins. Methods in Molecular Biology. In press, 2021.
MJ Nutt, YS Yee, A Buyan, N Andrewartha, B Corry, GCT Yeoh, SG Stewart. In pursuit of a selective hepatocellular carcinoma therapeutic agent: Novel thalidomide derivatives with antiproliferative, antimigratory and STAT3 inhibitory properties. Eur J Med Chem. 217:113353, 2021. Online manuscript
VF Palmisano, C Gomez-Rodellar, Hannah Pollak, G Cardenas, B Corry, S Faraji and JJ Nogueira Perez. Binding of Azobenzene and p-Diaminoazobenzene to the Human Voltage-Gated Sodium Channel NaV1.4 . Phys Chem Chem Phys. 23: 3552, 2021. Online manuscript

2020

A Buyan, CD Cox, J Barnoud, J Li, HSM Chan, B Martinac, SJ Marrink, B Corry. Piezo1 forms specific, functionally important interactions with phosphoinositides and cholesterol. Biophys J. 119: 1682-1697, 2020. Online manuscript / Commentary
L Hanlon, V Gautam, J Wood, P Reddy, M Barson, M Nihori, A Silalahi, B Corry, J Wratchtrup, M Sellers, V Daria, P Maletinsky, G Stuart, M Doherty . Diamond nano-pillar arrays for quantum microscopy of neuronal signals. Neurophotonics. 7: 035002, 2020. Online manuscript
M Thomas, B Corry. Modifying water flow, ion selectivity and salt rejection in carbon nanotubes via surface adsorption. J Phys Chem C. 124:3820-3826, 2020. Online manuscript

2019

C Chen, B Corry, L Huang, N Hildebrandt. FRET-modulated multi-hybrid nanoparticles for brightness-equalized single-wavelength barcoding. J Am Chem Soc 141: 11123-11141, 2019. Online manuscript
J J Nogueira, B Corry. Ion channel permeation and selectivity. In Oxford handbook of neuronal ion channels A Bhattacharjee (ed) Oxford Uni Press 2019. Online manuscript

2018

B Corry. The naked truth about K+ selectivity. Nature Chem. 10: 799, 2018. Online manuscript
A Buyan, D Sun, B Corry. Protonation state of inhibitors determines interaction sites within voltage-gated sodium channels. Proc. Natl. Acad. Sci. USA 10.1073/pnas.1714131115, 2018. Online manuscript
B Corry. Physical basis of specificity and delayed binding of a subtype selective sodium channel inhibitor. Scientific Reports 8:1356, 2018. Online manuscript
A Akbari, S Meragawi, S Martin, B Corry, E Shamsaei, C Easton, M Majumder, D Bhattacharyya. Solvent Transport Behavior of Shear Aligned Graphene Oxide Membranes and Implications in Organic Solvent Nanofiltration. ACS Applied Materials & Interfaces 10: 2067-2074, 2018. Online manuscript

2017

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. 79:255-285, 2017 Online manuscript
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

2016

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

2015

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.

2014

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

2013

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

2012

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

2011

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

2010

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

2009

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

2008

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

2007

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

2006

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

2005

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

2004

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

2003

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

2002

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

2001

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

2000

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

1999

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