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Found 4 papers, 2 papers with code
From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics
Recent advancements in structure-based drug design (SBDD) have significantly enhanced the efficiency and precision of drug discovery by generating molecules tailored to bind specific protein pockets.
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
In the field of Structure-based Drug Design (SBDD), deep learning-based generative models have achieved outstanding performance in terms of docking score.
Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods
Structure-based drug design (SBDD) stands at the forefront of drug discovery, emphasizing the creation of molecules that target specific binding pockets.
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery.
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