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DA Pearlman, MA Murcko - Journal of computational chemistry, 1993 - Wiley Online Library

CONCEPTS: New dynamic algorithm for de novo drug suggestion.

program design

Murcko, Pearlman

GSID: xwFbsA8QkVkJ

Excerpt

We describe a new method for de novo design of molecules that bind to protein active sites. The method, CONCEPTS (Creation of Novel Compounds by Evaluation of Particles at …

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