Figure_1.tif (1.38 MB)
The structural proteome-wide off-target pipeline integrating ligand binding site characterization and comparison, protein-ligand docking, MD simulation and MM/GBSA energy calculations, and biological network analysis.
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posted on 2011-04-28, 02:43 authored by Li Xie, Thomas Evangelidis, Lei Xie, Philip E. BourneThe structural proteome-wide off-target pipeline integrating ligand binding site characterization and comparison, protein-ligand docking, MD simulation and MM/GBSA energy calculations, and biological network analysis.
