Giovanni Settanni

TL;DR: Wordom as discussed by the authors is a versatile program for manipulation of molecular dynamics trajectories and efficient analysis of simulations, which includes a procedure to evaluate significance of sampling for principal component analysis as well as modules for clustering multiple conformations and evaluation of order parameters for folding and aggregation.

TL;DR: The folding thermodynamics and kinetics of ankyrin repeat proteins were analyzed both by classical two- state and three-state cooperative models and by an Ising-like model, where repeats are considered as two-state folding units that can be stabilized by interacting with their folded nearest neighbors.

TL;DR: IACT was applied to the de novo selection of functional ICAbs against the microtubule-associated protein TAU, found in neurofibrillary lesions of Alzheimer's disease brains, suggesting that the IACT naturally selects a sort of "captured consensus sequence" for intracellular antibodies.

TL;DR: The findings provide a blueprint for the design of effective drugs that rescue p53-Y220C and map ligand interaction sites within the mutational cavity, which underpins the importance of considering flexibility of the cavity in screening for optimized ligands.

TL;DR: The SM-FRET results showed that the isolated NTD of p53 was extended in solution with a strong preference for residues 66–86 forming a polyproline II conformation, and detected multiple conformations in flp53 that were likely to result from the interactions of NTD with the DNA binding domain of each monomeric p53.