Supported Applications


  • Description

    (Multi-Conformation Continuum Electrostatics) a biophysics simulation program combining continuum electrostatics and molecular mechanics. In this program, the protein side chain motions are simulated explicitly while the dielectric effect of solvent and bulk protein material is modeled by continuum electrostatics.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install mcce Copy to clipboard
  • Primary Citation*

    Y. Song, J. Mao, and M. Gunner. 2009. MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling. J Comput Chem. 30(14): 2231-2247.

    • *Full citation information available through