Abstract The Poisson–Boltzmann equation (PBE) is an established model for the
electrostatic analysis of biomolecules. The development of advanced computational …

This paper presents a differential geometry based model for the analysis and computation of
the equilibrium property of solvation. Differential geometry theory of surfaces is utilized to …

Solvation is an elementary process in nature and is of paramount importance to more
sophisticated chemical, biological and biomolecular processes. The understanding of …

This work extends our earlier two-domain formulation of a differential geometry based
multiscale paradigm into a multidomain theory, which endows us the ability to …

The miniaturization of nano-scale electronic devices, such as metal oxide semiconductor
field effect transistors (MOSFETs), has given rise to a pressing demand in the new …

Differential geometry (DG) based solvation models are a new class of variational implicit
solvent approaches that are able to avoid unphysical solvent-solute boundary definitions …

Elliptic partial differential equations (PDEs) are widely used to model real-world problems.
Due to the heterogeneous characteristics of many naturally occurring materials and man …

As computational hardware continues to develop at a rapid pace, quantitative computations
are playing an increasingly essential role in the study of biomolecular systems. One of the …

12.1 Background Solvation is an elementary process in nature and is particularly essential
to biology. Physically, the solvation process can be described by a variety of interactions …

This paper discusses a number of image analysis challenges emerging from longitudinal
small animal molecular imaging studies. Three steps towards a quantitative 3D analysis of …