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Titlebook: Computational Protein Design; Ilan Samish Book 2017 Springer Science+Business Media New York 2017 designed protein.Dead-End-Elimination (D

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Parallel Computational Protein Designpeline. By exploiting the modern GPU computational framework and optimizing the computation of the heuristic function for A* search, our new program, called ., can provide up to four orders of magnitude speedups in large protein design cases with a small memory overhead comparing to the traditional
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OSPREY Predicts Resistance Mutations Using Positive and Negative Computational Protein Designgorithms to prospectively predict resistance mutations that arise in the active site of the dihydrofolate reductase enzyme from methicillin-resistant . (SaDHFR) in response to selective pressure from an experimental competitive inhibitor. We demonstrated that our top predicted candidates are indeed
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