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. Author manuscript; available in PMC: 2016 Apr 4.
Published in final edited form as: Curr Opin Struct Biol. 2015 Apr 4;31:64–74. doi: 10.1016/j.sbi.2015.03.007

Figure 1.

Figure 1

Characteristic length-scales currently associated with varying levels of description in biomolecular simulations. Ab-initio and semi-empirical quantum mechanical calculations permit the study of chemical reactions in electronic detail within single molecules and small proteins while all-atom and coarsed-grained molecular dynamics simulations allow for the study of biological phenomena from the individual protein level to large subcellular organelles, and at all levels in between.