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

DOI10.1080/08927020310001597862zbMath1034.92041WikidataQ56934539 ScholiaQ56934539MaRDI QIDQ4458456

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

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

electrostatics; grand canonical Monte Carlo; Ion simulation; ISIM software

Mathematics Subject Classification ID

65C05: Monte Carlo methods

92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)

91-04: Software, source code, etc. for problems pertaining to game theory, economics, and finance

Related Items

ISIM

Uses Software

• MersenneTwister
• APBS

Cites Work

• Mersenne twister