T. Tarenzi, M. Rigoli and R. Potestio, Communication pathways bridge local and global conformations in an IgG4 antibody, Scientific Reports (2021) The affinity of an antibody for its antigen is primarily determined by the specific sequence and structural arrangement of the complementarity-determining regions (CDRs). Recent evidence, however, points toward a nontrivial relation between the CDR …
Oct 26
Honourable mention for poster presentation
Raffaele Fiorentini, SBP postdoc and member of the VARIAMOLS research group, received a honourable mention for his poster presentation at the EMBO workshop “Advances and Challenges in Biomolecular Simulations” held in October 2021. More information about this can be found at the following link.
Oct 12
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 …
Oct 05
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 …
Sep 17
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 …
Jul 29
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”
Jul 29
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 …
