Characterization of the conformational ensemble from bioactive N-acylhydrazone derivatives.


The search for bioactive conformations from prototypes is mostly referenced on crystallographic ligand-receptor complexes, in which the molecule conformation is already caged inside its binding site. However, the complexation process is a thermodynamic event depending on both complexed and uncomplexed states. As ligand affinity originates from such… (More)
DOI: 10.1016/j.jmgm.2009.10.004


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