The role of crystallography in drug design
Journal Title: The AAPS Journal - Year 2005, Vol 7, Issue 4
Abstract
Structure and function are intimately related. Nowhere is this more important than the area of bioactive molecules. It has been shown that the enantioselectivity of an enzyme is directly related to its chirality. X-ray crystallography is the only method for determining the “absolute” configuration of a molecule and is the most comprehensive technique available to determine the structure of any molecule at atomic resolution. Results from crystallographic studies provide unambiguous, accurate, and reliable 3-dimensional structural parameters, which are prerequisites for rational drug design and structure-based functional studies.
Authors and Affiliations
Jeffrey R. Deschamps
Keywords
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