PDB files of pteridine docking results in hDHFR without explicit water molecules

Download View content

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.

SEEK ID: https://fairdomhub.org/data_files/3840?version=2

Filename: hDHFR-noHOH.zip  Download

Format: Zip file

Size: 427 KB

help Creators and Submitter

Views: 835   Downloads: 36

Created: 22nd Sep 2020 at 14:22

Last updated: 16th Jul 2021 at 16:45

Last used: 13th Aug 2022 at 00:13

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

No revision comments

Powered by
Copyright © 2008 - 2022 The University of Manchester and HITS gGmbH

By continuing to use this site you agree to the use of cookies