Jérôme Eberhardt
Scripps Research Institute
1 paper in the Anchorcite directory, published in 2021, cited 7,558 times in total.
ORCID profileResearch topics
- Computational Drug Discovery Methods · 1 paper
- Protein Structure and Dynamics · 1 paper
- Machine Learning in Materials Science · 1 paper
Frequent co-authors
- Diogo Santos‐Martins · 1 paper
- Andreas Frank Tillack · 1 paper
- Stefano Forli · 1 paper
Papers
- AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python BindingsJournal of Chemical Information and Modeling · 2021 · 7,558 citations
AutoDock Vina is arguably one of the fastest and most widely used open-source programs for molecular docking. However, compared to other programs in the AutoDock Suite, it lacks support for modeling specific features such as macrocycles or explicit water molecules.…
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