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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

AUDocker LE: A GUI for virtual screening with AUTODOCK Vina.

Gaddam Sandeep1, Kurre Purna Nagasree, Muppaneni Hanisha

  • 1Pharmaceutical Chemistry Research Labs, College of Pharmaceutical Sciences, Andhra University, Visakhapatnam - 530003 India. sdis_au@rediffmail.com.

BMC Research Notes
|October 27, 2011
PubMed
Summary

AUDocker LE streamlines molecular docking by enabling automated, continuous docking of large ligand databases against protein targets. This Windows-based software facilitates efficient lead molecule identification through its user-friendly graphical interface.

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