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All-atom simulations reveal how single point mutations promote serpin misfolding
Fang Wang, Simone Orioli, Alan Ianeselli +5
Protein misfolding is implicated in many diseases, including the serpinopathies. For the canonical inhibitory serpin α1-antitrypsin (A1AT), mutations can result in protein deficien…
Self Consistent Path Sampling: Making Accurate All-Atom Protein Folding Simulations Possible on Small Computer Clusters
S. Orioli, S. A Beccara, P. Faccioli
We introduce a powerful iterative algorithm to compute protein folding pathways, with realistic all-atom force fields. Using the path integral formalism, we explicitly derive a mod…
Quarkonium production at the LHC: a data-driven analysis of NRQCD's predictions
Pietro Faccioli, Mariana Araújo, Valentin Knünz +3
While non-relativistic QCD (NRQCD) foresees a variety of elementary quarkonium production mechanisms naturally leading to state-dependent kinematic patterns, the LHC cross sections…
Quarkonium production at the LHC: a phenomenological analysis of surprisingly simple data patterns
Pietro Faccioli, Mariana Araújo, Valentin Knünz +3
The LHC quarkonium production measurements reveal a startling observation: the J/, (2S), and (nS) -differential cross sections are compatible with on…