Niall J. English

Denaturation of hen egg white lysozyme in electromagnetic fields: a molecular dynamics study.

Calculation of binding affinities of HIV-1 RT and beta-secretase inhibitors using the linear interaction energy method with explicit and continuum solvation approaches.

Nonequilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme.

Mechanisms for thermal conduction in methane hydrate.

Molecular dynamics study of thermal-driven methane hydrate dissociation.

Very different responses to electromagnetic fields in binary ionic liquid-water solutions.

Electromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions.

Dynamical properties of hydrogen sulphide motion in its clathrate hydrate from ab initio and classical isobaric-isothermal molecular dynamics.

Density fluctuations in liquid water.

Mechanisms for thermal conduction in hydrogen hydrate.

Coupling of translational and rotational motion in chiral liquids in electromagnetic and circularly polarised electric fields.

Photo-active and dynamical properties of hematite (Fe2O3)-water interfaces: an experimental and theoretical study.

Prediction of Henry's Law Constants via group-specific quantitative structure property relationships.

Perspectives on external electric fields in molecular simulation: progress, prospects and challenges.

Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study.

Hydrogen-bond dynamics at the bio-water interface in hydrated proteins: a molecular-dynamics study.

Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: temperature and cage-occupation effects.

Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice I.

Magnetic-field effects on methane-hydrate kinetics and potential geophysical implications: Insights from non-equilibrium molecular dynamics.

Mechanisms of Iodide⁻Triiodide Exchange Reactions in Ionic Liquids: A Reactive Molecular-Dynamics Exploration.