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1. CAFCW115 Massively Parallel Large-Scale Multi-Model Simulation of Tumor Development including Treatments

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   19 Dec 2019 | Contributor(s):: Marco Berghoff, Jakob Rosenbauer, Alexander Schug

   The temporal and spatial resolution in the microscopy of tissues has increased significantly within the last years, yielding new insights into the dynamics of tissue development and the role of the single-cell within it. A thorough theoretical description of the connection of single-cell...

2. CAFCW117 A Scalable, Validated Platform for Generative Lead Optimization of De Novo Molecules: Case Study in Discovery of Potent, Selective Aurora Kinase Inhibitors with Favorable Secondary Pharmacology

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   19 Dec 2019 | Contributor(s):: Andrew Weber

   De Novo design of therapeutic agents is currently a slow, expensive process generally relying on a large high throughput screen and several follow up cycles of iterative design to enhance the potency, eliminate safety liabilities, and enable favorable pharmacokinetic behavior. Computer aided drug...