dataset · Zenodo (CERN European Organization for Nuclear Research)
Here are the datasets (input files and trajectory files) for the computational method, which involves molecular docking and molecular dynamics simulations vis-à-vis post-dynamics simulation analysis of PbGST in characterising it with respect to ellagic acid (ELA) and bromosulfophthalein (BSP). The datasets were for the publication of a research article titled "The Biophysical Characterisation of Recombinant Glutathione Transferase from Plasmodium berghei, a Murine Model of Human Malaria: Insights from Empirical and Computational Methods". This original research article is published by Elsevier's International Journal of Biological Macromolecules.
This page summarises published work. The authoritative version sits with the publisher.
DOI: 10.5281/zenodo.21489710
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