Crystal packing - PowerPoint PPT Presentation

Virtual Screening

Virtual Screening. Identify and prepare a protein structure Systematically dock a database of structures Score the best orientations Put best hits through the real screen. Lead Optimization. Dock leads into active site (or use x-ray coords) Introduce synthetically feasible modifications

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1.07k views • 26 slides

LArGe setups

LArGe setups. tank. PMT. reflector and WLS. crystal. Simulation of LArGe setup at MPIK. Simulation of LArGe integrated in the MaGe framework. Goal : complete simulation of the scintillation photons. Simplified toy-geometry.

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323 views • 17 slides

LArGe setups

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204 views • 17 slides

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