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- W4385325742 abstract "Coarse-grained models allow computational investigation of biomolecular processes occurring on long time and length scales, intractable with atomistic simulation. Traditionally, many coarse-grained models rely mostly on pairwise interaction potentials. However, the decimation of degrees of freedom should, in principle, lead to a complex many-body effective interaction potential. In this work, we use experimental data on mutant stability to parametrize coarse-grained models for two proteins with and without many-body terms. We demonstrate that many-body terms are necessary to reproduce quantitatively the effects of point mutations on protein stability, particularly to implicitly take into account the effect of the solvent." @default.
- W4385325742 created "2023-07-28" @default.
- W4385325742 creator A5061903235 @default.
- W4385325742 creator A5084858039 @default.
- W4385325742 date "2023-07-27" @default.
- W4385325742 modified "2023-10-18" @default.
- W4385325742 title "Multibody Terms in Protein Coarse-Grained Models: A Top-Down Perspective" @default.
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- W4385325742 doi "https://doi.org/10.1021/acs.jpcb.3c04493" @default.
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