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Updated: Jul 24, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Molecular dynamics simulation analysis of alpha-cobra toxin docked with phytochemical compounds
Ahmed Mohajja Alshammari1, Manal Swaleh Alrashidi1, Wasimah Buraikan Alshammari1
1Department of Biology, College of Science, University of Hail, Kingdom of Saudi Arabia.
Abstract:
It is of interest to document data on the molecular dynamics simulation analysis of alpha-cobratoxin docked with phytochemical compounds. This can be used as effective drug candidates against the snake and scorpion venom. It should be noted experimental verification is needed to further validate the current data.
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