T. cruzi alpha-tubulin MN-loop interface top complexes from induced fit docking
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Zip-archive with top-ranked (by IFDScore) induced fit docking results for each dinitroaniline etherphospholipid hybrid compound, compound 1-5 and 7-9, docked to the interface region between two neighboring alpha-tubulin monomers of Trypanosoma cruzi; alpha-tubulin homology models were built on PDB-ID 5ubq and two monomeric models were aligned to neighboring protofilaments of the original PDB-ID 5ubq to construct an interface-model receptor. The docking grid was centered on the M-loop region residue Leu286 (T. cruzi numbering). No result was obtained for compound 6.

SEEK ID: https://fairdomhub.org/data_files/6426?version=1

Filename: tcruzi-atub_mnloop_ifd.zip  Download

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Size: 1.53 MB

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Created: 20th Apr 2023 at 11:23

Last updated: 24th Apr 2023 at 13:36

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Version 1 (earliest) Created 20th Apr 2023 at 11:23 by Ina Poehner

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