Induced-fit docking studies

Docking results of pteridine-based compounds in different target PTR1 and DHFR receptors and the off-target human DHFR when using an induced fit docking routine with an initial crude ligand placement step, subsequent receptor optimization in response to ligand binding and another docking step into the optimized receptor.

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Created: 22nd Aug 2020 at 11:50

Last updated: 30th Sep 2020 at 12:03

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