MCCE

• Multi-Conformation Continuum Electrostatics) is 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.

Developers

MCCE Developer Group

Marilyn Gunner

Categories

Structure Analysis

Versions

• Linux 32: 2.2
• OSX Intel: 2.2
• OSX PPC: 2.2

Citations

Song et al. MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling. Journal of computational chemistry (2009) vol. 30 (14) pp. 2231-47

License Type

This software is distributed under a Non-Profit license.