… formulation. However, this approach does not work directly in our formulation because no
sharp solvent–… Additionally, for practical purpose, we need an appropriate Eulerian formulation …

… Second, we present an Eulerian formulation of differential geometry based nonpolar solvation
model … and Eulerian formulations. Third, we look into the distinction between phase field …

… By using the Euler-Lagrange variation, we derive a system of three coupled governing
equations, ie, the generalized Poisson-Boltzmann equation for the electrostatic potential, the …

… model for biomolecular surface representation and solvation analysis. Based on the Eulerian
formulation, the … In explicit solvent models, the solvent is represented in molecular or atomic …

… In Section 2, we first introduce the pseudo-transient solvation model in the Eulerian
formulation. The proposed time splitting ADI schemes will then be formulated for solving the …

… Our DG-based solvation models have been implemented in the Eulerian formulation, where
the solvent-solute interface is embedded in the three-dimensional (3D) Euclidean space …

… been carried out to practically implement differential geometry based solvation models in the
Eulerian representation, 45 Lagrangian representation, 46 and quantum formulation. These …

… of the implicit solvent model (surface tension, dielectric coefficient, solvent pressure, etc.) and
do … For Eulerian formulations of the geometric flow problem,[6] S varies smoothly across the …

… solvated state in solution and the unsolvated state in vacuum, that is, ΔG solv .1, 2 We can
categorize the phenomena of solvation … the solute from the pure solvent to the solution system …

… required by the Eulerian representation in solvation analysis. … Eulerian and Lagrangian
formalisms of the solvation model. … the differential geometry based solvation model. The present …