ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules

DOI10.1080/08927020310001597862zbMath1034.92041OpenAlexW2133041173WikidataQ56934539 ScholiaQ56934539MaRDI QIDQ4458456

Nathan A. Baker, Andreas Vitalis, J. Andrew McCammon

Publication date: 18 March 2004

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927020310001597862

zbMATH Keywords

electrostaticsgrand canonical Monte CarloIon simulationISIM software

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Software, source code, etc. for problems pertaining to game theory, economics, and finance (91-04)

Related Items

Differential geometry based solvation model. I: Eulerian formulation ⋮ Differential geometry based solvation model II: Lagrangian formulation ⋮ ISIM

Uses Software

• MersenneTwister
• APBS

Cites Work

• Mersenne twister