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Showing 1 to 2 of 2 for “"Structure-guided drug discovery"”.

  1. The Automatic Detection of Small Molecule Binding Hotspots on Proteins: Applying Hotspots to Structure-Based Drug Design

    … site is an important first step in structure-guided drug discovery, but current methods typically assess the pocket as a whole, doing little to suggest which regions and interactions are the most important for binding. This thesis introduces Fragment Hotspot Maps, a grid-based method …

    cambridge Repository record for The Automatic Detection of Small Molecule Binding Hotspots on Proteins: Applying Hotspots to Structure-Based Drug Design (opens in a new tab)

  2. Targeting Mycobacterium abscessus Infection in Cystic Fibrosis: A Structure-guided Fragment-based Drug Discovery Approach

    … emergence of Mycobacterium abscessus, a highly drug-resistant non-tuberculous mycobacterium, which causes life-threatening infections in people with chronic lung conditions like cystic fibrosis. This opportunistic pathogen is refractory to treatment with standard anti-tuberculosis drugs and most …

    cambridge Repository record for Targeting Mycobacterium abscessus Infection in Cystic Fibrosis: A Structure-guided Fragment-based Drug Discovery Approach (opens in a new tab)