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. Author manuscript; available in PMC: 2024 Apr 13.
Published in final edited form as: J Phys Chem B. 2023 Mar 31;127(14):3175–3186. doi: 10.1021/acs.jpcb.3c00429

Table 1:

Binding probabilities for ligand structural groupsa,b

Ligand LI L2 L3 L4 L5 L6 L7
I0 0.42 ± 0.03 0.45 ± 0.05 0.50 ± 0.04 0.66 ± 0.04 0.46 ± 0.01 0.55 ± 0.03 0.78 ± 0.03
I1 0.43 ± 0.02 0.52 ± 0.03 0.54 ± 0.07 0.75 ± 0.04 0.59 ± 0.05 0.67 ± 0.05 0.84 ± 0.04
I2 0.44 ± 0.05 0.55 ± 0.12 0.64 ± 0.05 0.80 ± 0.07 0.36 ± 0.04 0.45 ± 0.05 0.83 ± 0.07
a

Binding probabilities are given by Pb(l).

b

Ligand groups are identified in Fig. 1a.