Published May 15, 2026
| Version v1
Dataset
Open
Extended data 2: Structural and Functional Impact of the G340S Mutation in Plasmodium falciparum Ferredoxin NADP⁺ Reductase: In silico Analysis and Molecular Docking.
Authors/Creators
-
1.
Jomo Kenyatta University of Agriculture and Technology
Description
The deposit includes the starting structural models, the FAD-bound receptor models, the MD files, topology files, simulation analysis scripts, docking input and configuration files, receptor and ligand PDBQT files, docking output logs, and HADDOCK submission and some downstream analysis files.
Files
antimalarial_ligand_docking.zip
Files
(15.1 MB)
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md5:907671c0f67626f862a158868b35f2f3
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md5:e7500af5cc95738abcd30e81d74209a2
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md5:f5408719a440de4c15622d830bd0f45e
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Additional details
Funding
- Bill & Melinda Gates Foundation
- 2022 GC | Ferredoxin-NADP+ reductase and link to drug resistance in Plasmodium falciparum INV-060657 INV-060657