MCPRO: Difference between revisions
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Carl McBride (talk | contribs) (New page: '''MCPRO''' ==References== #[http://dx.doi.org/10.1002/jcc.20297 William L. Jorgensen, Julian Tirado-Rives "Molecular modeling of organic and biomolecular systems using BOSS and MCPRO", J...) |
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[http://zarbi.chem.yale.edu/software.html MCPRO] performs [[Monte Carlo]] statistical mechanics simulations of peptides, [[proteins]], and nucleic acids in solution; it was derived from [[BOSS]], but makes extensive use of the concept of residues. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1002/jcc.20297 William L. Jorgensen, Julian Tirado-Rives "Molecular modeling of organic and biomolecular systems using BOSS and MCPRO", Journal of Computational Chemistry '''26''' pp. 1689-1700 (2005)] | #[http://dx.doi.org/10.1002/jcc.20297 William L. Jorgensen, Julian Tirado-Rives "Molecular modeling of organic and biomolecular systems using BOSS and MCPRO", Journal of Computational Chemistry '''26''' pp. 1689-1700 (2005)] | ||
[[Category: Materials | ==External links== | ||
*[http://zarbi.chem.yale.edu/doc/MCPROman.pdf MCPRO User Manual (PDF, 2 MB)] | |||
[[Category: Materials modelling and computer simulation codes]] | |||