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SBGridTV

Supported Applications

MCCE

  • 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.

  • 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

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