A. De Simone

Hydrogen Cyanamide Causes Reversible G2/M Cell Cycle Arrest Accompanied by Oxidation of the Nucleus and Cytosol in Arabidopsis thaliana Root Apical Meristem Cells

A Kink in DWORF Helical Structure Controls the Activation of the Sarco-plasmic Reticulum Ca2+-ATPase

This study determines the structure of DWORF and shows that a kink caused by Pro15 enables its unique activation of SERCA.

Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer's disease

This paper identifies a small molecule that binds and sequesters monomeric amyloid-β, inhibiting its aggregation and rescuing toxicity in a C. elegans model.

Structural Basis for Allosteric Control of the SERCA-Phospholamban Membrane Complex by Ca2+ and cAMP-dependent Phosphorylation

This study reveals how phosphorylation and Ca2+ modulate the SERCA-PLN complex through structural changes that enhance Ca2+ transport.

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of Cyclophilin A

The paper uses accelerated MD and MSM to study millisecond timescale conformational dynamics of CypA, identifying key states and validating predictions with NMR.

Extent of N-terminus exposure by altered long-range interactions of monomeric alpha-synuclein determines its aggregation propensity

This study investigates how calcium-induced conformational changes in monomeric alpha-synuclein affect N-terminus exposure and aggregation propensity, identifying sequence-specific conformational differences as key factors.

Developing NMR methods for macromolecular machines: Measurement of residual dipolar couplings to probe dynamic regions of the ribosome

This paper develops NMR methods to measure residual dipolar couplings in the ribosome's dynamic regions, refining structural models and validating them with experimental data.