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The minimized dead-end elimination crite

The minimized dead-end elimination criterion and its application to protein redesign in a hybrid scoring and search algorithm for computing partition functions over molecular ensembles

✍ Ivelin Georgiev; Ryan H. Lilien; Bruce R. Donald 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 668 KB

## Abstract One of the main challenges for protein redesign is the efficient evaluation of a combinatorial number of candidate structures. The modeling of protein flexibility, typically by using a rotamer library of commonly‐observed low‐energy side‐chain conformations, further increases the comple