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Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA

Giulio Poli1, Thomas Seidel2, Thierry Langer2

  • 1Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy.

Frontiers in Chemistry
|July 5, 2018
PubMed

Keywords:
conformational analysisconformer generationdrug designpharmacophore modelingvirtual screening

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