Incorporating target heterogeneity in drug design.

Abstract excerpt

Traditionally, structure-based drug design has been predicated on the idea of the lock-and-key hypothesis, i.e., the ideal drug should have a structure that complements the target site structurally and energetically. The implementation of this idea has lead to the development of drug molecules that are conformationally constrained and pre-shaped to the geometry of the selected target. The main drawback of this...

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