C. Camilloni

The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A

This study identifies the αC-β4 loop as a key regulator of allosteric cooperativity between nucleotide and substrate in PKA-C through simulations and mutagenesis experiments.

Molecular Insights into the Rescue Mechanism of an hERG Activator Against Severe LQT2 Mutations.

This study investigates how ICA-105574, an HERG activator, shortens cardiac repolarization in severe LQT2 mutations through molecular mechanisms.

A missense mutation in the gene encoding the Mg-chelatase subunit I leads to a viable pale green line with phenotypic features of potential interest for barley breeding programs

The paper identifies a missense mutation in HvCHLI causing reduced chlorophyll content in barley, which shows potential for breeding crops adapted to arid conditions.

Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery

The paper shows that scFv76 antibody neutralizes multiple SARS-CoV-2 variants and reduces lung damage in mice when delivered via aerosol.

Multi-eGO: an in-silico lens to look into protein aggregation kinetics at atomic resolution

The paper introduces multi-eGO, a computational model that simulates protein aggregation kinetics at atomic resolution, showing agreement with experimental data on Transthyretin peptides.

A small molecule stabilises the disordered native state of the Alzheimer's Aβ peptide

This study identifies a small molecule that stabilizes the disordered native state of the Alzheimer's Aβ42 peptide through dynamic binding involving π-stacking and entropic effects.

Refinement of α-synuclein ensembles against SAXS data: Comparison of force fields and methods

The paper compares force fields and methods for refining α-synuclein ensembles using SAXS data, showing that accurate ensembles require compatible simulations and experimental integration.

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.

A kinetic ensemble of the Alzheimer's Aβ peptide

This study develops a Markov state model to determine the kinetic ensemble of Aβ42, revealing fast inter-state transitions and predominantly unfolded or short-lived partially-folded states.

Conformational stability and dynamics in crystals recapitulate protein behaviour in solution

This study shows that conformational dynamics and stability of β2m in crystals mirror its behavior in solution, supporting the use of crystals for studying protein unfolding and aggregation.

Molecular recognition and dynamics of linear poly-ubiquitins: integrating coarse-grain simulations and experiments

This paper combines coarse-grain simulations and experiments to study the conformational dynamics of linear poly-ubiquitin chains and their interaction with NEMO.

Evolution of an interaction between disordered proteins resulted in increased heterogeneity of the binding transition state

The paper compares the binding transition states of ancestral and human IDP domains, finding increased heterogeneity in the human complex.

Martini bead form factors for nucleic-acids and their application in the refinement of protein/nucleic-acid complexes against SAXS data

The paper derives and implements Martini bead form factors for nucleic acids to refine protein/nucleic-acid complexes against SAXS data using a hybrid multi-resolution strategy.

Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain (AL) amyloidosis patient

The paper reports the cryo-EM structure of cardiac amyloid fibrils from an AL amyloidosis patient, revealing key structural features of the light chain variable domain involved in fibril formation.

Molecular dynamics ensemble refinement of the heterogeneous native state of NCBD using chemical shifts and NOEs

This study refines the native state ensemble of NCBD using chemical shifts and NOEs to accurately model its conformational dynamics.