32 citations · 60 across the 4 of their papers we have counts for
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q-bio.BM2017★ 32 cited
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…
physics.bio-ph2017
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…