Conformational analysis of lipid molecules by self-organizing maps.

@article{Murtola2007ConformationalAO,
  title={Conformational analysis of lipid molecules by self-organizing maps.},
  author={T Murtola and Mikko Kupiainen and Emma Falck and Ilpo Vattulainen},
  journal={The Journal of chemical physics},
  year={2007},
  volume={126 5},
  pages={
          054707
        }
}
The authors have studied the use of the self-organizing map (SOM) in the analysis of lipid conformations produced by atomic-scale molecular dynamics simulations. First, focusing on the methodological aspects, they have systematically studied how the SOM can be employed in the analysis of lipid conformations in a controlled and reliable fashion. For this purpose, they have used a previously reported 50 ns atomistic molecular dynamics simulation of a 1-palmitoyl-2-linoeayl-sn-glycero-3… 
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21 Citations
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Methods Citations
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21 Citations

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Citation Type

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  • Zhiyong Zhang
  • Biology
    Advances in experimental medicine and biology
  • 2015
TLDR
This chapter reviews the recent development of a novel and systematic method for constructing CG representations of arbitrarily complex biomolecules, in order to preserve large-scale and functionally relevant essential dynamics (ED) at the CG level.
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References

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