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Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size

Krystel El Hage1, Florent Hédin1, Prashant K Gupta1

  • 1Department of Chemistry, University of Basel, Basel, Switzerland.

Elife
|July 13, 2018
PubMed

Keywords:
diffusion constanthemoglobinhydrophobic effectmolecular biophysicsmolecular dynamicsnonesimulation box sizestructural biology

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