T. cruzi alpha-tubulin top complexes from induced fit docking based on trifluraline reference in N-loop region
Version 1

Zip-archive with top-ranked (by IFDScore) induced fit docking results for each dinitroaniline etherphospholipid hybrid compound, compound 1-9, docked to the resulting complex of reference compound trifluralin to the N-loop region of a Trypanosoma cruzi alpha-tubulin homology model built on PDB-ID 5ubq. The docking grid was centered on the trifluralin reference compound (T. cruzi numbering).

The docking results were obtained by Induced Fit docking with Schrödinger Glide and Prime in the Induced Fit docking workflow (Schrödinger, LLC, New York, NY, Schrödinger Release 2017-1, 2017, Induced Fit Docking Protocol, Glide v11.1 and Prime PSP v4.7).

SEEK ID: https://fairdomhub.org/data_files/6434?version=1

Filename: tcruzi-atub_trifluralin-nloop_ifd.zip  Download

Format: Zip file

Size: 894 KB

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Created: 20th Apr 2023 at 14:09

Last updated: 24th Apr 2023 at 13:36

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Version 1 (earliest) Created 20th Apr 2023 at 14:09 by Ina Poehner

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