AMBER Archive (2009)

Subject: [AMBER] protein-ligand binding simulation times

From: Andrew Voronkov (drugdesign_at_yandex.ru)
Date: Sat Aug 22 2009 - 00:09:54 CDT

How much time it will take to assess organic compound's binding with Mw=300-400 to the proteins potential binding site? The goal is to assess the stability of protein-ligand complex and then to evaluate its stability by MM-PBSA for selection from ligands databases?

Best regards,
Andrew

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