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- W2082512593 abstract "Although dynamics simulations are a powerful tool in research, the most commonly used methods have limitations with respect to the time scales that can be achieved, even on the most sophisticated hardware available. To mitigate this problem, there has been significant research in structural abstraction or “coarse-graining” simulations. However, the process of coarse graining necessarily excludes potentially relevant information from an atomic-level representation and may ignore terms that describe higher-order interactions. Limited attempts to reintroduce this information back into simulations have employed multibody terms to simulate secondary structures such as β-sheets, however more complex attempts at including multibody interactions have not yet been published. In this offering, we describe our findings with respect to characterizing multibody interactions found within the PDB and explorations of potentially employing this work in the framework of a forcefield." @default.
- W2082512593 created "2016-06-24" @default.
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- W2082512593 date "2013-01-01" @default.
- W2082512593 modified "2023-09-25" @default.
- W2082512593 title "Multibody Force Fields: Characterizing Intrinsic Correlation within the PDB" @default.
- W2082512593 doi "https://doi.org/10.1016/j.bpj.2012.11.3157" @default.
- W2082512593 hasPublicationYear "2013" @default.
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