Ahmet Sarigün: CompassDock: Comprehensive Accurate Assessment Approach for Deep Learning-Based Molecular Docking in Inference and Fine-Tuning
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How can we accurately assess structures in DL-based molecular docking? Introducing CompassDock, a practical tool designed to enhance the evaluation of deep learning-based molecular docking. CompassDock offers an effective approach to assessing docking accuracy by validating the physicochemical properties and bioactivity of protein-ligand pairs. Join us to explore its role in advancing drug discovery workflows.
ArXiv: https://arxiv.org/abs/2406.06841
GitHub: https://github.com/bimsbbioinfo/compassdock
Venue
MDC (BIMSB)
Hannoversche Straße 28
10115 Berlin
Germany
Time
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