Modeling Proteins Conformation in Solution. Part II

A Solvent Effect Model Based on the Evaluation of Solvent-Accessible Surface Area and Generalized Born Equation

Abstract

This is the second of a series of articles describing our system for prediction of protein con-formation in solution. Here we propose a force field for studyingprotein folding in solution. Our force field is made up of an internal force field (MM2) and a solvent force field which sums up the constrains that solvent imposes to protein structure in solution, as compared with the gas phase.