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MacroModel

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Template:Expert-subject-multiple MacroModel is a program for molecular modeling. It carries out simulations in the framework of classical mechanics - the so-called "molecular mechanics". MacroModel performs molecular dynamics simulations to model systems at finite temperatures using stochastic dynamics and mixed Monte Carlo algorithms. MacroModel supports Linux, SGI and IBM/AIX.

Key features

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See also

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References

  1. ^ Guimarães CRW and Cardozo M (2008). "MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization". J. Chem. Inf. Model. 48 (5): 958–970. doi:10.1021/ci800004w. PMID 18422307.
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