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Pyne, A; Pfeil, M P; Bennett, I*; Ravi, J; Iavicoli, P*; Lamarre, B; Roethke, A*; Ray, S; Jiang, H B*; Bella, A; Reisinger, B*; Yin, D; Little, B*; Munoz-Garcia, J C*; Cerasoli, E; Judge, P J*; Faruqui, N; Calzolai, L*; Henrion, A*; Martyna, G J*; Grovenor, C R M*; Crain, J; Hoogenboom, B W*; Watts, A*; Ryadnov, M G (2017) Engineering monolayer poration for rapid exfoliation of microbial membranes. Chem. Sci., 8 (2). pp. 1105-1115.

Cipcigan, F S*; Sokhan, V P; Crain, J; Martyna, G J* (2016) Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed. J. Comput. Phys., 326. pp. 222-233.

Stewart, M; Lepadatu, S; McCartney, L N; Cain, M G; Wright, L; Crain, J; Newns, D M*; Martyna, G J* (2015) Electrode size and boundary condition independent measurement of the effective piezoelectric coefficient of thin films. APL Mater., 3 (2). 026103

Cipcigan, F S*; Sokhan, V P; Jones, A P; Crain, J; Martyna, G J* (2015) Hydrogen bonding and molecular orientation at the liquid-vapour interface of water. Phys. Chem. Chem. Phys., 17 (14). pp. 8660-8669.

Sokhan, V P; Jones, A*; Cipcigan, F S*; Crain, J; Martyna, G J* (2015) Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids. Phys. Rev. Lett., 115 (11). 117801

Sokhan, V P; Jones, A P*; Cipcigan, F S*; Crain, J; Martyna, G J* (2015) Signature properties of water: their molecular electronic origins. Proc. Natl. Acad. Sci. USA, 112 (20). pp. 6341-6346.

Magdau, I B; Liu, X H*; Kuroda, M A*; Shaw, T M*; Crain, J; Soloman, P M*; Newns, D M*; Martyna, G J* (2015) The piezoelectronic stress transduction switch for a very large-scale integration, low voltage sensor computation, and radio frequency application. Appl. Phys. Lett., 107 (7). 073505

McCartney, L N; Wright, L; Cain, M G; Crain, J; Martyna, G J*; Newns, D M* (2014) Methods for determining piezoelectric properties of thin epitaxial films: theoretical foundations. J. Appl. Phys., 116 (1). 014104

Jones, A; Cipcigan, F*; Sokhan, V P; Crain, J; Martyna, G J* (2013) Electronically coarse-grained model for water. Phys. Rev. Lett., 110 (22). 227801

Rakowska, P D; Jiang, H B*; Ray, S; Pyne, A; Lamarre, B; Carr, M*; Judge, P J*; Ravi, J; Gerling, U I M*; Koksch, B*; Martyna, G J*; Hoogenboom, B W*; Watts, A*; Crain, J; Grovenor, C R M*; Ryadnov, M G (2013) Nanoscale imaging reveals laterally expanding antimicrobial pores in lipid bilayers. Proc. Natl. Acad. Sci. USA, 220 (22). pp. 8918-8923.

Jones, A P*; Craine, J*; Sokhan, V P; Whitfield, T W*; Martyna, G J* (2013) Quantum Drude oscillator model of atoms and molecules: many-body polarization and dispersion interactions for atomistic simulation. Phys. Rev. B, 87 (14). 144103

Gregor, C R*; Cerasoli, E; Schouten, J*; Ravi, J; Slootstra, J*; Horgan, A M; Martyna, G J*; Ryadnov, M G; Davis, P*; Crain, J (2011) Antibody recognition of a human chorionic gonadrtropin epitope (hCG beta(66-80)) depends on local structure retained in the free peptide. J. Biol. Chem., 286 (28). pp. 25016-25026.

Gregor, C R*; Cerasoli, E; Tulip, P R*; Ryadnov, M G; Martyna, G J*; Crain, J (2011) Autonomous folding in the membrane proximal HIV peptide gp41(659-671): pH tuneability at micelle interfaces. Phys. Chem. Chem. Phys., 13 (1). pp. 127-135.

Tulip, P R*; Gregor, C R*; Troitzsch, R Z*; Martyna, G J*; Cerasoli, E; Tranter, G*; Crain, J (2010) Conformational plasticity in an HIV-1 antibody epitope. J. Phys. Chem. B, 114 (23). pp. 7942-7950.

Ryadnov, M G; Cerasoli, E; Martyna, G J*; Crain, J (2010) Translational biophysics: the physical sciences in molecular medicine. Future Med. Chem., 2 (11). pp. 1633-1639.

Jones, A*; Thompson, A*; Crain, J; Muser, M H*; Martyna, G J* (2009) Norm-conserving diffusion Monte Carlo method and diagrammatic expansion of interacting drude oscillators: application to solid xenon. Phys. Rev. B, 79 (14). 144119

Troitzsch, R Z*; Vass, H*; Hossack, W J*; Martyna, G J*; Crain, J (2008) Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations. J. Phys. Chem. B, 112 (14). pp. 4290-4297.