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Chelate effect in cyclodextrin dimers: a computational (MD, MM/PBSA, and MM/GBSA) study.
J Org Chem. 2006 Mar 3;71(5):2056-63. doi: 10.1021/jo052469o.
J Org Chem. 2006.
PMID: 16496993
Molecular dynamics of large-ring cyclodextrins: principal component analysis of the conformational interconversions.
Gotsev MG, Ivanov PM.
Gotsev MG, et al.
J Phys Chem B. 2009 Apr 30;113(17):5752-9. doi: 10.1021/jp805446w.
J Phys Chem B. 2009.
PMID: 19344106
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Molecular dynamics study of the conformational dynamics and energetics of some large-ring cyclodextrins (CDn, n = 24, 25, 26, 27, 28, 29).
Gotsev MG, Ivanov PM, Jaime C.
Gotsev MG, et al.
Chirality. 2007 Mar;19(3):203-13. doi: 10.1002/chir.20365.
Chirality. 2007.
PMID: 17226747
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