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    Improvement of Protein Structure Modeling Upon Coarse Grained Force Field Augmentation with Multitorsional Potentials Demonstrates the Significance of Along-Chain Coupling of Local... by Elizaveta F. Petrusevich (10358233)

    Published 2025
    “…UNRES augmented with <i>U</i><sub><i>mtor</i></sub><sup><i>f</i></sup> and <i>U</i><sub><i>mtor</i></sub><sup><i>e</i></sup> showed improved performance in <i>ab initio</i> protein structure modeling with a set of 76 benchmark proteins of different secondary structure and topology and sizes from 20 to 126 amino-acid residues. A significant part of this improvement was the increased correctness of the secondary structure of the models upon introducing the multitorsional terms. …”
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