M. Connolly

SAFE-OPT: A Bayesian optimization algorithm for learning optimal deep brain stimulation parameters with safety constraints

SAFE-OPT is a Bayesian optimization algorithm that incorporates safety constraints to find optimal deep brain stimulation parameters without harmful side-effects, validated in rodent studies.

Integrating Patient Metadata and Genetic Pathogen Data: Advancing Pandemic Preparedness with a Multi-Parametric Simulator

This paper develops a multi-parametric simulator to link genetic pathogen data with patient metadata, enhancing pandemic preparedness through synthetic data generation and scenario customization.

Prediction of nanographene binding-scores to trout cellular receptors and cytochromes

This study predicts nanographene binding-scores to trout receptors and cytochromes using computational docking, identifying potential detoxification pathways and implications for safer graphene material design.

Static kinks or flexible hinges: conformational distributions of bent DNA bound to integration host factor mapped by fluorescence lifetime measurements

This study uses fluorescence lifetime measurements to show that IHF-DNA complexes exhibit conformational flexibility, with some DNA remaining unbent or partially bent despite IHF-induced kinking.

Dynamical origins of heat capacity changes in enzyme catalysed reactions

The paper uses experiments and simulations to show that heat capacity changes in enzyme-catalyzed reactions can be predicted by molecular dynamics simulations, revealing dynamic changes beyond the active site.