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. 2018 Aug 29;13(8):e0203079. doi: 10.1371/journal.pone.0203079

Table 1. Binding energy and specific interaction of CaCdr1p with Ger.

Compounds Binding energy
(kcal/mol)
Protein ligands interaction
Hydrophobic H-bonds
Geraniol -8.8 Thr1029, Ser1034, Trp1038, Leu1064, Ile1065 Pro1061, Ser1062
Known Inhibitor
Farnesol -5.8 Arg1071, Glu1086, Thr1093, Asn1096, Lys1100, Glu1141, Ala1144, Val1145