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Ternary structure reveals mechanism of a membrane diacylglycerol kinaseApplication of statistical techniques for elucidating flow cytometric data of batch and fed-batch cultures.Thermal Conductivity of Supercooled Water: An Equilibrium Molecular Dynamics Exploration.Minimizing Electron-Hole Recombination on TiO2 Sensitized with PbSe Quantum Dots: Time-Domain Ab Initio Analysis.Perspectives on external electric fields in molecular simulation: progress, prospects and challenges.Communication: Librational dynamics in water, sI and sII clathrate hydrates, and ice Ih: Molecular-dynamics insights.Verhulst and stochastic models for comparing mechanisms of MAb productivity in six CHO cell linesRevisiting Verhulst and Monod models: analysis of batch and fed-batch cultures.Prediction of Henry's Law Constants via group-specific quantitative structure property relationships.Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics StudyElectromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions.Very different responses to electromagnetic fields in binary ionic liquid-water solutions.Highly ordered nanorod assemblies extending over device scale areas and in controlled multilayers by electrophoretic deposition.Human aquaporin 4 gating dynamics under and after nanosecond-scale static and alternating electric-field impulses: a molecular dynamics study of field effects and relaxation.Diffusive hydrogen inter-cage migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates.Defects are needed for fast photo-induced electron transfer from a nanocrystal to a molecule: time-domain ab initio analysis.Density equalisation in supercooled high- and low-density water mixtures.A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide.Molecular dynamics study of CO2 hydrate dissociation: Fluctuation-dissipation and non-equilibrium analysis.Aromatic ring size effects on the photophysics and photochemistry of styrylbenzothiazole.Photo-active and dynamical properties of hematite (Fe2O3)-water interfaces: an experimental and theoretical study.Photo-induced charge separation across the graphene-TiO2 interface is faster than energy losses: a time-domain ab initio analysis.Massively parallel molecular dynamics simulation of formation of ice-crystallite precursors in supercooled water: incipient-nucleation behavior and role of system size.Massively parallel molecular-dynamics simulation of ice crystallisation and melting: the roles of system size, ensemble, and electrostatics.Electropumping of Water Through Human Aquaporin 4 by Circularly Polarized Electric Fields: Dramatic Enhancement and Control Revealed by Non-Equilibrium Molecular Dynamics.Structural and dynamical properties of methane clathrate hydrates.Electro-suppression of water nano-droplets' solidification in no man's land: Electromagnetic fields' entropic trapping of supercooled water.On the Mechanism of the Iodide-Triiodide Exchange Reaction in a Solid-State Ionic Liquid.Communication: Influence of external static and alternating electric fields on water from long-time non-equilibrium ab initio molecular dynamics.Global-density fluctuations in methane clathrate hydrates in externally applied electromagnetic fields.Perturbation of hydration layer in solvated proteins by external electric and electromagnetic fields: Insights from non-equilibrium molecular dynamics.Hydrogen-bond dynamics at the bio-water interface in hydrated proteins: a molecular-dynamics study.Mechanisms for thermal conduction in hydrogen hydrate.Communication: influence of nanosecond-pulsed electric fields on water and its subsequent relaxation: dipolar effects and debunking memory.Role of Hydration Layer in Dynamical Transition in Proteins: Insights from Translational Self-Diffusivity.Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: temperature and cage-occupation effects.Oscillating electric-field effects on adsorbed-water at rutile- and anatase-TiO2 surfaces.Near-microsecond human aquaporin 4 gating dynamics in static and alternating external electric fields: Non-equilibrium molecular dynamics.Study of clathrate hydrates via equilibrium molecular-dynamics simulation employing polarisable and non-polarisable, rigid and flexible water models.Electromagnetic-field effects on structure and dynamics of amyloidogenic peptides.
P50
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P50
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Niall J English
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Niall J. English
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Niall J. English
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Niall J. English
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Niall J English
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Niall J. English
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Niall J. English
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Niall J. English
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Niall J English
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Niall J. English
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Niall J. English
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P106
P1153
7004765766
P21
P31
P496
0000-0002-8460-3540
P569
2000-01-01T00:00:00Z