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In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.

Posted on Apr 22, 2013

Hoffer L, Renaud JP, Horvath D.

J Chem Inf Model. 2013 Apr 22;53(4):836-51. doi: 10.1021/ci4000163. Epub 2013 Apr 11.

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