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"Dynamic clustering threshold reduces conformer ensemble size while ..."

Austin B. Yongye, Andreas Bender, Karina Martínez-Mayorga (2010)

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DOI: 10.1007/S10822-010-9365-1

access: closed

type: Journal Article

metadata version: 2020-04-16

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Austin B. Yongye, Andreas Bender, Karina Martínez-Mayorga:
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble. J. Comput. Aided Mol. Des. 24(8): 675-686 (2010)

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