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CM Form at 100Published Version Ncdsv

CM Form at 100Published Version Ncdsv

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hi I'm Mike Wallace senior principal scientist at simulations Plus thank you for attending the midd plus conference and for watching this video the title of my presentation is using 3D shape matching in aidd to design ccr4 antagonists this slide is an overview of the presentation in the first section I'll discuss 3D virtual screening which is new functionality that will be released in admin predictor 10-5 then I'll give an overview of the AI driven drug Discovery workflow next I'll talk about CC chemokime receptor 4 background and known ccr4 antagonists in the final section I'll present results of aidd runs that identify novel potential ccr4 antagonists in admit predictor 10-4 we introduce functionality to generate 3D structures for 2D structures both within the graphical user interface and from the command line several options are provided including single versus multiple conformers minimization based on the mmf-94s course field and constrain co

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