Nvidia
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Building a Virtual Drug Screening Workflow with BioNeMo
Posted
March 19, 2024
Views
3,149
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March 19, 2024
3,149
67
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2.16%
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2:33Now PlayingNVIDIA BioNeMo is a cloud-based AI service for drug discovery, offering pretrained models like MegaMolBART and MoFlow for chemistry, ESM-1 and ESM-2 for protein embeddings, and more.
In this tutorial, we explore a virtual drug screening pipeline with BioNeMo, using OpenFold to predict a target protein structure, MoFlow to generate candidate compounds, and DiffDock to assess the protein-ligand docking characteristics.
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