It would often be useful in computer simulations to use an implicit description of solvation
effects, instead of explicitly representing the individual solvent molecules. Continuum …

This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …

We describe the development, current features, and some directions for future development
of the Amber package of computer programs. This package evolved from a program that was …

Implicit solvation models provide, for many applications, a reasonably accurate and
computationally effective way to describe the electrostatics of aqueous solvation. Here, a …

Publisher Summary The chapter focuses on a general description of the force fields that are
most commonly used at present, and it gives an indication of the directions of current …

The present review is concerned with continuum and other implicit models of solvation
effects. We will concentrate on the elements required to make such models successful and …

The analytic generalized Born approximation is an efficient electrostatic model that
describes molecules in solution. Here it is modified to permit a more accurate description of …

Oil and water do not mix. The disaffinity of oil for water, with its unusual temperature
dependence, is called the hydrophobic effect. It is important to understand the factors …

Implicit solvent models for biomolecular simulations are reviewed and their underlying
statistical mechanical basis is discussed. The fundamental quantity that implicit models seek …

Accurate methods of computing the affinity of a small molecule with a protein are needed to
speed the discovery of new medications and biological probes. This paper reviews physics …