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Brian Hand, Ger Kelly, Andrew Cashman, " Numerical simulation of a vertical axis wind turbine airfoil experiencing dynamic stall at high Reynolds numbers", Computers & Fluids, 149, 2017 , 12--30, Source
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Christian J. Burnham, Niall J. English, " Electropumping of Water Through Human Aquaporin 4 by Circularly Polarized Electric Fields: Dramatic Enhancement and Control Revealed by Non-Equilibrium Molecular Dynamics", The Journal of Physical Chemistry Letters, 8, 2017 , 4646--4651, Source
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Donnacha J. McGrath, Anja Lena Thiebes, Christian G. Cornelissen, Barry OBrien, Stefan Jockenhoevel, Mark Bruzzi, Peter E. McHugh, " Evaluating the interaction of a tracheobronchial stent in an ovine in-vivo model", Biomechanics and Modeling in Mechanobiology, 17, 2017 , 499--516, Source
Donnacha J. McGrath, Anja Lena Thiebes, Christian G. Cornelissen, Mary B. OShea, Barry OBrien, Stefan Jockenhoevel, Mark Bruzzi, Peter E. McHugh, " An ovine in vivo framework for tracheobronchial stent analysis", Biomechanics and Modeling in Mechanobiology, 16, 2017 , 1535--1553, Source
Dorothee Wasserberg, Jordi Cabanas-Danes, Jord Prangsma, Shane OMahony, Pierre-Andre Cazade, Eldrich Tromp, Christian Blum, Damien Thompson, Jurriaan Huskens, Vinod Subramaniam, Pascal Jonkheijm, " Controlling Protein Surface Orientation by Strategic Placement of Oligo-Histidine Tags", ACS Nano, 11, 2017 , 9068--9083, Source
D. Schwörer, N.R. Walkden, H. Leggate, B.D. Dudson, F. Militello, T. Downes, M.M. Turner, " Influence of plasma background including neutrals on scrape-off layer filaments using 3D simulations", Nuclear Materials and Energy, 12, 2017 , 825--830, Source
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Fedwa El-Mellouhi, Akinlolu Akande, Carlo Motta, Sergey N. Rashkeev, Golibjon Berdiyorov, Mohamed El-Amine Madjet, Asma Marzouk, El Tayeb Bentria, Stefano Sanvito, Sabre Kais, Fahhad H. Alharbi, " Solar Cell Materials by Design: Hybrid Pyroxene Corner-Sharing VO4", ChemSusChem, 10, 2017 , 1931--1942, Source
Feihu Zhao, Myles J. Mc Garrigle, Ted J. Vaughan, Laoise M. McNamara, " In silico study of bone tissue regeneration in an idealised porous hydrogel scaffold using a mechano-regulation algorithm,", Biomechanics and Modeling in Mechanobiology, 17, 2017 , 5--18, Source
Feihu Zhao, Ted J. Vaughan, Myles J. Mc Garrigle, Laoise M. McNamara, " A coupled diffusion-fluid pressure model to predict cell density distribution for cells encapsulated in a porous hydrogel scaffold under mechanical loading,", Computers in Biology and Medicine, 89, 2017 , 181--189, Source
Francesco Manoni, Umar Farid, Cristina Trujillo, Stephen J. Connon, " Catalytic asymmetric Tamura cycloadditions involving nitroalkenes,", Organic &$mathsemicolon$ Biomolecular Chemistry, 15, 2017 , 1463--1474, Source
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Giovanni B. Brandani, Steven J. Vance, Marieke Schor, Alan Cooper, Malcolm W. Kennedy, Brian O. Smith, Cait E. MacPhee, David L. Cheung, " Adsorption of the natural protein surfactant Rsn-2 onto liquid interfaces,", Physical Chemistry Chemical Physics, 19, 2017 , 8584--8594, Source
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Goar Sanchez-Sanz, Cristina Trujillo, Ibon Alkorta, Jose Elguero, " Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives", J. Phys. Chem. A, 121, 2017 , 8995--9003, Source
Goar Sanchez-Sanz, Cristina Trujillo, Ibon Alkorta, Jose Elguero, " Modulation of in:out and out:out conformations in [X.X'.X''] phosphatranes by Lewis acids", Phys. Chem. Chem. Phys., 19, 2017 , 20647--20656, Source
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Guiyeom Kang, Claudio Marquez, Ana Barat, Annette T. Byrne, Jochen H.M. Prehn, Joan Sorribes, Eduardo Cesar, " Colorectal tumour simulation using agent based modelling and high performance computing", Future Generation Computer Systems, 67, 2017 , 397--408, Source
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Huiqing Song, Daniel Laudenschleger, John J. Carey, Holger Ruland, Michael Nolan, Martin Muhler, " Spinel-Structured ZnCr2O4 with Excess Zn Is the Active ZnO/Cr2O3 Catalyst for High-Temperature Methanol Synthesis", ACS Catalysis, 7, 2017 , 7610--7622, Source
Jacopo Simoni, Maria Stamenova, Stefano Sanvito, " Ab initio", Phys. Rev. B, 96, 2017 , , Source
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James P. Gleeson, Rick Durrett, " Temporal profiles of avalanches on networks", Nature Communications, 8, 2017 , 1227, Source
Jamie McGowan, David A. Fitzpatrick, " Genomic, Network, and Phylogenetic Analysis of the Oomycete Effector Arsenal.", mSphere, 2, 2017 , e00408, Source
Janet E. Del Bene, Ibon Alkorta, Jose Elguero, Goar Sanchez-Sanz, " Lone-Pair Hole on P: P···N Pnicogen Bonds Assisted by Halogen Bonds", J. Phys. Chem. A, 121, 2017 , 1362--1370, Source
Joanne Comer, Agnieszka Indiana Olbert, Stephen Nash, Michael Hartnett, " Development of high-resolution multi-scale modelling system for simulation of coastal-fluvial urban flooding", Natural Hazards and Earth System Sciences, 17, 2017 , 205--224, Source
Joas Grossi, Jorge J. Kohanoff, Niall J. English, Eduardo M. Bringa, Mario G. Del Popolo, " On the Mechanism of the Iodide-Triiodide Exchange Reaction in a Solid-State Ionic Liquid", The Journal of Physical Chemistry B, 121, 2017 , 6436--6441, Source
John Bugler, Jennifer Power, Henry J. Curran, " A theoretical study of cyclic ether formation reactions", Proceedings of the Combustion Institute, 36, 2017 , 161--167, Source
John J. Carey, Michael Nolan, " Influence of trivalent doping on point and Frenkel defect formation in bulk chromium (III) oxide", Solid State Ionics, 307, 2017 , 51--64, Source
John J Carey, Michael Nolan, " Non-classical behaviour of higher valence dopants in chromium (III) oxide by a Cr vacancy compensation mechanism", Journal of Physics: Condensed Matter, 29, 2017 , 415501, Source
John J. Carey, M. Nolan, " Enhancing the oxygen vacancy formation and migration in bulk chromium(iii) oxide by alkali metal doping: a change from isotropic to anisotropic oxygen diffusion", J. Mater. Chem. A, 5, 2017 , 15613--15630, Source
Jonathan Byrne, Evan OtextquotesingleKeeffe, Donal Lennon, Debra F. Laefer, " 3D Reconstructions Using Unstabilized Video Footage from an Unmanned Aerial Vehicle,", Journal of Imaging, 3, 2017 , 15, Source
Jose Julio Gutierrez Moreno, Michael Nolan, " Ab Initio Study of the Atomic Level Structure of the Rutile TiO2(110)-Titanium Nitride (TiN) Interface", ACS Applied Materials & Interfaces, 9, 2017 , 38089--38100, Source
Julien Varignon, Mathieu N. Grisolia, Daniele Preziosi, Philippe Ghosez, Manuel Bibes, " Origin of the orbital and spin ordering in rare-earth titanates,", Physical Review B, 96, 2017 , , Source
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K.C. Schwartzenberg, J.W.J. Hamilton, A.K. Lucid, E. Weitz, J. Notestein, M. Nolan, J.A. Byrne, K.A. Gray, " Multifunctional photo/thermal catalysts for the reduction of carbon dioxide", Catalysis Today, 280, 2017 , 65--73, Source
Kishan Thodkar, Damien Thompson, Felix Lüönd, Lucas Moser, Frederic Overney, Laurent Marot, Christian Schönenberger, Blaise Jeanneret, Michel Calame, " Restoring the Electrical Properties of CVD Graphene via Physisorption of Molecular Adsorbates", ACS Applied Materials & Interfaces, 9, 2017 , 25014--25022, Source
L. Chiodo, T.E. Malliavin, L. Maragliano, G. Cottone, " A possible desensitized state conformation of the human a 7 nicotinic receptor: A molecular dynamics study", Biophysical Chemistry, 229, 2017 , 99--109, Source
Lei Ren, Michael Hartnett, " Hindcasting and Forecasting of Surface Flow Fields through Assimilating High Frequency Remotely Sensing Radar Data,", Remote Sensing, 9, 2017 , 932, Source
Lei Ren, Michael Hartnett, " Sensitivity analysis of a data assimilation technique for hindcasting and forecasting hydrodynamics of a complex coastal water body,", Computers &$mathsemicolon$ Geosciences, 99, 2017 , 81--90, Source
Liang Xu, Buyong Ma, Ruth Nussinov, Damien Thompson, " Familial Mutations May Switch Conformational Preferences in a-Synuclein Fibrils", ACS Chemical Neuroscience, 8, 2017 , 837--849, Source
Linda Martini, Adam Kells, Roberto Covino, Gerhard Hummer, Nicolae-Viorel Buchete, Edina Rosta, " Variational Identification of Markovian Transition States,", Physical Review X, 7, 2017 , 031060, Source
Luis Padrela, Jacek Zeglinski, Kevin M. Ryan, " Insight into the Role of Additives in Controlling Polymorphic Outcome: A CO$less$sub$greater$2$less$/sub$greater$-Antisolvent Crystallization Process of Carbamazepine,", Crystal Growth &$mathsemicolon$ Design, 17, 2017 , 4544--4553, Source
Maciej Wiktor, Dietmar Weichert, Nicole Howe, Chia-Ying Huang, Vincent Olieric, Coilin Boland, Jonathan Bailey, Lutz Vogeley, Phillip J. Stansfeld, Nienke Buddelmeijer, Meitian Wang, Martin Caffrey, " Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis", Nat. Comm. D, 8, 2017 , 15952, Source
Marco Fronzi, Michael Nolan, " First-principles analysis of the stability of water on oxidised and reduced CuO(111) surfaces,", RSC Advances, 7, 2017 , 56721--56731, Source
Marco Fronzi, Michael Nolan, " Surface Modification of Perfect and Hydroxylated TiO2 Rutile (110) and Anatase (101) with Chromium Oxide Nanoclusters", ACS Omega, 2, 2017 , 6795--6808, Source
Marco Lauricella, Giovanni Ciccotti, Niall J. English, Baron Peters, Simone Meloni, " Mechanisms and Nucleation Rate of Methane Hydrate by Dynamical Nonequilibrium Molecular Dynamics", J. Phys. Chem. C, 121, 2017 , 24223--24234, Source
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Mark Lynch, Thomas A. Walsh, Izabela Marszalowska, Andrew E. Webb, Micheal MacAogain, Thomas R. Rogers, Henry Windle, Dermot Kelleher, Mary J. OConnell, Christine E. Loscher, " Surface layer proteins from virulent Clostridium difficile ribotypes exhibit signatures of positive selection with consequences for innate immune response,", BMC Evolutionary Biology, 17, 2017 , , Source
Mateusz Chwastyk, Andres M. Vera, Albert Galera-Prat, Melissabye Gunnoo, Damien Thompson, Mariano Carrion-Vazquez, Marek Cieplak, " Non-local effects of point mutations on the stability of a protein module", The Journal of Chemical Physics, 147, 2017 , 105101, Source
Matteo Ravenna, Sergei Lebedev, " Bayesian inversion of surface-wave data for radial and azimuthal shear-wave anisotropy", Geophysical Journal International, 213, 2017 , 278--300, Source
Matthew O. A. Ellis, Maria Stamenova, Stefano Sanvito, " Multiscale modeling of current-induced switching in magnetic tunnel junctions using ", Physical Review B, 96, 2017 , , Source
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M.C. Corbett, P.A. Sharos, M. Hardiman, C.T. McCarthy, " Numerical design and multi-objective optimisation of novel adhesively bonded joints employing interlocking surface morphology", International Journal of Adhesion and Adhesives, 78, 2017 , 111--120, Source
M. Chernyakova, Iu. Babyk, D. Malyshev, Ie. Vovk, S. Tsygankov, H. Takahashi, Ya. Fukazawa, " Study of orbital and superorbital variability of LSI303 with X-ray data", Monthly Notices of the Royal Astronomical Society, 470, 2017 , 1718--1728, Source
Merid Legesse, Giorgos Fagas, Michael Nolan, " Modifying the band gap and optical properties of Germanium nanowires by surface termination", Applied Surface Science, 396, 2017 , 1155--1163, Source
Michael Martyn, Tuathan P. OShea, Emma Harris, Jeffrey Bamber, Stephen Gilroy, Mark J. Foley, " A Monte Carlo study of the effect of an ultrasound transducer on surface dose during intrafraction motion imaging for external beam radiation therapy", Medical Physics, 44, 2017 , 5020--5033, Source
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Paul Mannion, Yasin Toparlar, Bert Blocken, Magdalena Hajdukiewicz, Thomas Andrianne, Eoghan Clifford, " Improving CFD prediction of drag on Paralympic tandem athletes: influence of grid resolution and turbulence model", Sports Engineering, 21, 2017 , 123--135, Source
Paul Nolan, John O'Sullivan, Ray McGrath, " Impacts of climate change on mid-twenty-first-century rainfall in Ireland: a high-resolution regional climate model ensemble approach", International Journal of Climatology, 37, 2017 , 4347--4363, Source
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