Sentence examples for binding modes are often from inspiring English sources
High-resolution crystallographic data on fragment binding modes are often essential to rationally develop the affinity of hit molecules.[ 3] In the case of MTIP myoA, this has proven to be problematic, as a crystal structure of free MTIP has not been resolved, and NMR data point to a highly flexible protein that samples a number of conformations, interconverting on different timescales.
Although the low energy binding modes are prevalent no significant clustering was observed again suggesting no specificity in binding.
These binding modes are sensitive to salt, temperature, pH, and binding density (Lohman and Ferrari, 1994).
Representative structures for each ligand were analyzed and binding modes were selected according to the mutagenesis data.
The probable mechanisms and the proposed binding modes were discussed.
These binding modes were subsequently confirmed by X-ray crystallography.
The rmsd of different docked ligand at the ligand binding modes is given in Table S4.
Ligand binding modes were analyzed using LigandScout 3 software (www.inteligand.com).
To ensure that all possible binding modes were explored, early termination of the docking run as a consequence of multiple solutions with the same binding mode was disabled.
The observed binding mode is supported by and explains the structure activity relationships of these compounds.
