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The Lawrence Livermore National Laboratory / American Heart Association CoViD-19 Data Portal
Contact Us
For inquiries regarding collaboration with LLNL scientists, please e-mail:
llnlcovid19_collaborators@llnl.gov
For feedback and suggestions regarding this data portal, please e-mail:
llnlcovid19_feedback@llnl.gov
Models/methods:
Molecular docking
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Single-point GBSA
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“Fusion” machine learning model
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MD-trajectory-average GBSA
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Safety and pharmacokinetic property predictions