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NMTrypI - New Medicines for Trypanosomatidic Infections

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Prepared target (parasite PTR1, DHFR) and off-target (human DHFR) protein receptors for docking studies, in part with conserved structural water sets, and the corresponding preparation routine.

Submitter: Ina Poehner

Biological problem addressed: Model Analysis Type

Investigation: Pteridines as anti-kinetoplastid folate-pathway...

Study: Docking to PTR1 and DHFR targets and off-targets

Organisms: Leishmania major, Trypanosoma brucei

Models: No Models

SOPs: Protein receptor preparation SOP for docking

Data files: LmDHFR docking receptor without water molecules, LmPTR1 docking receptor with conserved structur..., LmPTR1 docking receptor without water molecules, TbDHFR docking receptor without water molecules, TbPTR1 docking receptor with conserved structur..., TbPTR1 docking receptor without water molecules, hDHFR docking receptor with conserved structura..., hDHFR docking receptor without water

Snapshots: No snapshots

Created: 22nd Aug 2020 at 09:40, Last updated: 30th Sep 2020 at 10:03

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