Zip-archive with results for reference and all designed pteridines in their neutral and N1-protonated variant as multi-model PDB files, ordered as ranked by Glide docking scores, in the hDHFR receptor based on PDB-ID 1u72 without explicit water molecules. Docking results obtained by rigid-body XP docking with Schrödinger Glide (Schrödinger, LLC, New York, NY, Schrödinger Release 2015-4, 2015, Glide v6.9). For further details and naming conventions also refer to the README file.

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Created: 22nd Sep 2020 at 14:22
Last updated: 16th Jul 2021 at 16:45
Last used: 22nd May 2022 at 14:39


Version History
Version 2 (latest) Created 16th Jul 2021 at 16:45 by Ina Poehner
Updated nomenclature
Version 1 (earliest) Created 22nd Sep 2020 at 14:22 by Ina Poehner
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