Data from: Selectivity and ranking of tight-binding JAK-STAT inhibitors using Markovian milestoning with Voronoi tessellations
Owning Institution: UC San Diego, Research Data Curation Program
About this Collection
The data set contains all the files necessary to recreate the results in the paper "Selectivity and ranking of tight-binding JAK-STAT inhibitors using Markovian milestoning with Voronoi tessellations." The data contains the Simulation Enabled Estimation of Kinetic Rates (SEEKR) simulations for the JAK2 and JAK3-ligand complexes with instructions to compute the residence times of the ligands in these complexes. View this collection on the contributor's website.View our statement on digital primary resources and historical description.
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