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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 recognition by beta-cyclodextrin derivatives: FEP vs MM/PBSA study.
Beà I, Cervelló E, Kollman PA, Jaime C.
Beà I, et al.
Comb Chem High Throughput Screen. 2001 Dec;4(8):605-11. doi: 10.2174/1386207013330689.
Comb Chem High Throughput Screen. 2001.
PMID: 11812257
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