Niall J. English

School of Chemical and Bioprocess Engineering, University College Dublin, Belfield

Affiliated withUniversity College Dublin, Belfield

Research Area

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JoVE Journal Publications

ArticleTotal : 1	Year
Publication title	2020

Other Publications

Article	Year
Denaturation of hen egg white lysozyme in electromagnetic fields: a molecular dynamics study. The Journal of chemical physics\| PubMed ID: 17362097	2007
Calculation of binding affinities of HIV-1 RT and beta-secretase inhibitors using the linear interaction energy method with explicit and continuum solvation approaches. Journal of molecular modeling\| PubMed ID: 17690926	2007
Nonequilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme. The Journal of chemical physics\| PubMed ID: 19624238	2009
Mechanisms for thermal conduction in methane hydrate. Physical review letters\| PubMed ID: 19659158	2009
Molecular dynamics study of thermal-driven methane hydrate dissociation. The Journal of chemical physics\| PubMed ID: 19708755	2009
Very different responses to electromagnetic fields in binary ionic liquid-water solutions. The journal of physical chemistry. B\| PubMed ID: 19719281	2009
Electromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions. Physical chemistry chemical physics : PCCP\| PubMed ID: 19830319	2009
Dynamical properties of hydrogen sulphide motion in its clathrate hydrate from ab initio and classical isobaric-isothermal molecular dynamics. The journal of physical chemistry. A\| PubMed ID: 21391544	2011
Density fluctuations in liquid water. Physical review letters\| PubMed ID: 21405300	2011
Mechanisms for thermal conduction in hydrogen hydrate. The Journal of chemical physics\| PubMed ID: 22299885	2012
Coupling of translational and rotational motion in chiral liquids in electromagnetic and circularly polarised electric fields. The Journal of chemical physics\| PubMed ID: 22401453	2012
Photo-active and dynamical properties of hematite (Fe2O3)-water interfaces: an experimental and theoretical study. Physical chemistry chemical physics : PCCP\| PubMed ID: 24525830	2014
Prediction of Henry's Law Constants via group-specific quantitative structure property relationships. Chemosphere\| PubMed ID: 25602194	2015
Perspectives on external electric fields in molecular simulation: progress, prospects and challenges. Physical chemistry chemical physics : PCCP\| PubMed ID: 25903011	2015
Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study. International journal of molecular sciences\| PubMed ID: 27428954	2016
Hydrogen-bond dynamics at the bio-water interface in hydrated proteins: a molecular-dynamics study. Physical chemistry chemical physics : PCCP\| PubMed ID: 27905589	2016
Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: temperature and cage-occupation effects. Physical chemistry chemical physics : PCCP\| PubMed ID: 27921106	2016
Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice I. Physical chemistry chemical physics : PCCP\| PubMed ID: 29513305	2018
Magnetic-field effects on methane-hydrate kinetics and potential geophysical implications: Insights from non-equilibrium molecular dynamics. The Science of the total environment\| PubMed ID: 30682616	2019
Mechanisms of Iodide⁻Triiodide Exchange Reactions in Ionic Liquids: A Reactive Molecular-Dynamics Exploration. International journal of molecular sciences\| PubMed ID: 30841600	2019