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Automated computation of low-energy pathways for complex rearrangements in proteins: application to the conformational switch of Ras p21 |
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| Authors: | Noé Frank Ille Fabian Smith Jeremy C Fischer Stefan |
| Institution: | Computational Molecular Biophysics, IWR, University of Heidelberg, Heidelberg, Germany. |
| Abstract: | |
| Keywords: | conformational transition minimum energy path (MEP) conjugate peak refinement (CPR) reaction path initial path path optimization interpolation method molecular movie |
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