Scripts
RDKit conformation generation script
By Alessandro Deplano – Sep. 20, 2017 NOTE: THERE IS A NEW VERSION OF THIS SCRIPT. VISIT THIS PAGE TO DOWNLOAD IT.
September 20, 2017
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By Alessandro Deplano – Sep. 20, 2017 NOTE: THERE IS A NEW VERSION OF THIS SCRIPT. VISIT THIS PAGE TO DOWNLOAD IT.
Check out our new user interface for PharmScreen! Perform virtual screening campaigns with just a few clicks and take advantage of Pharmacelera’s
PharmScreen field-based alignment outperforms traditional solutions by taking into account relevant ligand characteristics related with ligand-receptor interaction.PharmScreen superior alignment allows finding better
This image shows a successful small-molecule alignment using a multi-reference strategy on a set of D2/D4 inhibitors. As it can be observed,