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CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble

Yifei Qi1, Jumin Lee2, Xi Cheng3

  • 1Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China.

Journal of Computational Chemistry
|July 23, 2019
PubMed

Keywords:
CHARMM-GUIEPR/DEERMDDS simulationreMD simulationspin label

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