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Should medicinal chemists do molecular modelling?


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In this article Timothy J. Ritchie and Iain M. McLay discuss the pros and cons of medicinal chemists undertaking three-dimensional (3D) computer-aided Q2 drug design (CADD) activities for themselves, from the viewpoint of both medicinal chemists and computational chemists.

The authors discuss how best this can be implemented, the potential benefits that can be obtained and the pitfalls that are often encountered.

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