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 …

Continue reading

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 …

Continue reading

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 …

Continue reading

SBP seminar “Topological Tuning of DNA Mobility in Entangled Solutions of Supercoiled Plasmids”

July 23, 2021 10:30 am GMT+2SBP seminar by Dr. Jan Smrek, University of Vienna, Austria Talk title: “Topological Tuning of DNA Mobility in Entangled Solutions of Supercoiled Plasmids”

Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators

L. Tubiana, H. Kobayashi, R. Potestio, B. Duenweg, K. Kremer, P. Virnau and K. Daoulas, Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators, Journal of Physics: Condensed Matter (2021) Recent theoretical studies have demonstrated that the behaviour of molecular knots is a sensitive indicator of polymer structure. Here, we use knots to verify …

Continue reading