Virtual Screening Protocol

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In this document, the current Rizzo group protocol will be described in detail. This protocol has be through successive iterations and has be used to select compounds for Flu and HIVgp41 (n=112).

ZINC Database

Downloading and Preparation of Receptor

DOCKing

Minimization of Poses

Pose Rescoring using Molecular Footprints

Clustering using MOE

Compound Selection

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