DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment

@article{Deeth2005DommiMOEAI,
  title={DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment},
  author={Robert J. Deeth and Natalie Fey and Benjamin Williams-Hubbard},
  journal={Journal of computational chemistry},
  year={2005},
  volume={26 2},
  pages={123-30}
}
The ligand field molecular mechanics (LFMM) model, which incorporates the ligand field stabilization energy (LFSE) directly into the potential energy expression of molecular mechanics (MM), has been implemented in the "chemically aware" molecular operating environment (MOE) software package. The new program, christened DommiMOE, is derived from our original in-house code that has been linked to MOE via its applications programming interface and a number of other routines written in MOE's native… CONTINUE READING

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