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Protein Design Tools in Discovery Studio 3.0: Computational Stability Prediction and Computational Alanine Scanning

One of the primary goals of protein design is to engineer optimized proteins by introducing mutations. Protein thermal stability is a key issue for chemical, biotechnology and pharmaceutical industries. We will present a new set of tools available in Discovery Studio 3.0 and  show how to calculate  mutation energies as well as  predict stabilizing mutations. Similarly, Protein-protein interactions are a key components of signal transduction. Methods for predicting  energetically important amino acids (interaction hot spots) at protein-protein interfaces are of increasing interest. We will present a new set of tools available in Discovery Studio 3.0   and show how to predict  computationally derived interaction hot spots. Computational results will be compared to experimental data on a set of selected examples.

Anne Goupil - Principal Scientist, Accelrys
Adrian Stevens - Sr. Product Marketing Manager, Accelrys

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