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A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules

R. Menichetti, M. Giulini and R. Potestio, A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules, EPJB (2021) A mapping of a macromolecule is a prescription to construct a simplified representation of the system in which only a subset of its constituent atoms is retained. As the specific …

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Nobel Prize in Physics 2021 awarded to Giorgio Parisi

The Nobel Prize in Physics 2021 was awarded “for groundbreaking contributions to our understanding of complex systems” with one half jointly to Syukuro Manabe and Klaus Hasselmann “for the physical modelling of Earth’s climate, quantifying variability and reliably predicting global warming” and the other half to Giorgio Parisi “for the discovery of the interplay of …

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Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study

L. F. Signorini, C. Perego and R. Potestio, Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study, J. Chem. Phys. (2021) The computer-aided investigation of protein folding has greatly benefited from coarse-grained models, that is, simplified representations at a resolution level lower than atomistic, providing access to qualitative and quantitative details of …

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