The total energy variation of complex and apo (unbound protein) range between −2428 and 2422∗10 KJ/mol and have a tendency towards 2424∗10 KJ/mol.
All the exocyclic torsion angles of the highest resolution structure (and many of the lower resolution structures) are also found at either the mean position of solution macrostate conformations or within the unbound librational range (Fig. 5).
The conformations that disordered proteins adopt in the bound state cover a continuum, similar to the structural spectrum of free, unbound IDPs, and range from static to dynamic, and from full to segmental disorder.
Overall, platinum DNA adduct levels ranged from 0.24 to 6.99 nmole g−1 DNA, with corresponding peak unbound carboplatin plasma concentrations ranging from 15.8 to 76.6 μg ml−1.
22 The fraction of unbound docetaxel was reported to range from 4%to10%0% in the plasma of patients treated with docetaxel, and AAG was found to be correlated with fraction unbound and clearance of total docetaxel.
Thirteen premature neonates treated for invasive C. albicans infection with this dosing range had peak unbound drug concentrations below reported MIC values in 25% of cases, resulting in death attributed to fungal sepsis in two cases.
Similar to EphA4, a large number of conformations has been observed experimentally for ubiquitin, both in solution and in the crystal form, in the unbound state and bound to a range of ligands.
A new NMR method is presented that has the capability to determine accurately the (unbound) conformations of ligands and their range of dynamic motion in a physiologically-relevant solvent environment that is independent of computational chemistry.
Fourteen different unbound granular materials with particle sizes ranging from 7 mm to 19 mm used in the study.
The protein-unbound fraction was constant within the range of 0.001 1 µmol/l, but increased gradually in the concentration range of 3 100 µmol/l, suggesting a saturation of protein binding (Supplementary Figure S1).
