Approaches to Structure-Based Ligand Design

Joseph-McCarthy D. Computational approaches to structure-based ligand design. Pharmacol Ther 1999 84 179-91. 

Despite such unquestionable progress, lead discovery by structure-based ligand design still faces several problems and limitations such as a lack of availability of 3D structures for the important group of membrane-bound receptors, or adequate computational approaches to reflect induced-fit in drug-reactor interactions. 

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