PPT Slide

5. Take all rotamers that have a lower energy than structure E0 to form excitation set B

4. Using protein E0, perform excitations of single rotamers from set A and evaluating the energy of the total protein

6. Use newest low energy rotamer set to form structure E0' and perform double rotamer excitations using excitation set B

Substitute E0' for E0 and repeat steps 4 to 6 until no single or double excitations are lower in energy than structure used in step 4

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