Related Experiment Video
Updated: Mar 14, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
CrossDocker: a tool for performing cross-docking using Autodock Vina
1Pharmaceutical Research Center, School of Pharmacy, Mashhad University of Medical Sciences, 91775-1365 Mashhad, Iran.
Background:
Cross-docking is an approach to find the best holo structures among multiple structures available for a target protein.
Results:
CrossDocker significantly decreases the time needed for setting parameters and inputs for performing multiple dockings, data collection and subsequent analysis.
Conclusion:
CrossDocker was written in Python language and is available as executable binary for Windows operating system. It is available at http://www.pharm-sbg.com. Some example data sets were also provided.
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