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Articles

AI-assisted fragment-based drug discovery of SARS-CoV-2 macrodomain binders validated by NMR and X-ray crystallography

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By Elnaz Aledavood, Sandra Ramos-Inza, Jannis Born, Megan Lambert, Hannes Berg, Jan Kohler, Jan Köhler, Anna Niesteruk, Sridhar Sreeramulu, Amy Thompson, James Sandy, Siyi Wang, Eleanor Williams, Martin Walsh, Michael Hough, Harald Schwalbe, Ana Martinez, Ana Martínez Verified, Carmen Gil, Halina Mikolajek, Juan Sanchez-Weatherby
| Nature Verified
Abstract Fragment-based drug discovery (FBDD) is an effective approach for exploring chemical space using small, low-affinity fragments as starting points to facilitate development of lead compounds. Strategies to improve fragment potency include fragment merging and linking to generate higher-affinity inhibitors. Recently, artificial intelligence (AI) and machine learning (ML) have accelerated this process through structure-based optimization and generative compound design.
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Modding Programs / Modding Questions

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By Diego Lopez, Diego López, Jan Kohler, Jan Köhler, Bram Hengeveld, Andreas Forslund
| Overtake_gg
#1 Ryder BXML Converter Description -- Converts every type of binary xml file into plain text xml from the EGO engine games. Download -- http://www.racedepartment.com/forum/threads/ego-engine-app-bxml-converter.52146/ Here's a list of programs that can be used to mod F1 2011. Below I've added some useful guides written by various members.Ryder CTF Editor Description -- Provides a nice GUI to edit CarTuningFiles in the EGO engine games.
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