ISIM Interface 1.3.2
ISIM interface is a simple Java graphical user interface for running the program ISIM. ISIM is package that simulates the thermodynamic ensemble of ions around a macromolecule using a grand canonical Monte Carlo scheme and simple hard sphere ion models. It is meant to provide an alternative mechanism to mean field approaches to allow the calculation of ion distributions around a highly charged molecule using a simple model that takes into account ion-ion correlations and steric interactions.
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Andreas Vitalis, Nathan A. Baker, J. Andrew McCammon (2004)
ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules.
Molecular Simulation 30(1): 45-61 (2004)