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Abbreviation : ER
Long Form : energy representation
No. Year Title Co-occurring Abbreviation
2019 Calculation of solvation free energy utilizing a constrained QM/MM approach combined with a theory of solutions. BCC
2018 Binding free energy analysis of protein-protein docking model structures by evERdock. ---
2018 Refining evERdock: Improved selection of good protein-protein complex models achieved by MD optimization and use of multiple conformations. MD
2017 Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points. ---
2016 Efficient Computational Research Protocol to Survey Free Energy Surface for Solution Chemical Reaction in the QM/MM Framework: The FEG-ER Methodology and Its Application to Isomerization Reaction of Glycine in Aqueous Solution. FE, FEG
2015 An accurate and efficient computation method of the hydration free energy of a large, complex molecule. HFE, MA, MD
2015 Energetic contributions from the cation and anion to the stability of carbon dioxide dissolved in imidazolium-based ionic liquids. ---
2012 Development of a methodology to compute solvation free energies on the basis of the theory of energy representation for solutions represented with a polarizable force field. TI
2008 Investigation of the dominant hydration structures among the ionic species in aqueous solution: novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation. QM/MM
10  2007 Computational study on the relative acidity of acetic acid by the QM/MM method combined with the theory of energy representation. QM/MM