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. 2023 Mar 29:1–9. Online ahead of print. doi: 10.1007/s11224-023-02164-6

Table 4.

Occupancy analysis for HSA–cytarabine complex at 310 K

Donor–acceptor Atom number Occupancy (%)
LIG-396GLU 18,282–6181 15.2
LIG-400GLU 18,259–6237 22.6
LIG-400GLU 18,259–6236 24.4
LIG-396GLU 18,271–6179 23.6
LIG-396GLU 18,271–6178 29.1
LIG-395PHE 18,271–6166 47.7
LIG-400GLU 6226–18,247 49.2
LIG-400GLU 6226–18,245 29.5