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Computer-aided drug design

How does computational chemistry help us make the best drugs? Could advances in computer power, greater knowledge of biological systems, and more accurate atomic predictions lead to a new era of drug discovery? Researchers are investigating properties and interactions of possible drug targets, all using computer-aided drug design

Figure 1 A computer-generated image of a 6AS6 protein molecule, which plays a part in the disease tuberculosis, and an inhibiting drug bound to it (shown in green). The three views (a, b and c) show increasingly magnified views of the active site of the protein molecule

This article links to the following topics in the AQA, Edexcel, OCR, WJEC, CCEA, SQA and IB Diploma exam specifications:

■ drug design

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