Rosalind Franklin Institute

Integrating Ion Mobility-Resolved Tandem Mass Spectrometry and Microcrystal Electron Diffraction for Structural Elucidation

Abstract Determining the three-dimensional structures of small molecules in complex mixtures remains challenging as current approaches typically require physical isolation and quantities of material that are excessive for many components. Here we present a reciprocal structure-de...

Controlling Nonadiabatic Transitions through Engineered Ultrafast Laser Fields at Conical Intersections

Abstract In this paper, we investigate the coherent control of nonadiabatic dynamics at a conical intersection (CI) using engineered ultrafast laser pulses. Within a model vibronic system, we tailor the pulse chirp and temporal profile and compute the resulting wave packet popula...

From developer to microscopist: Improving the accessibility of volume electron microscopy software

Abstract To maximise insight from today's high throughput microscopy experiments, it is essential for a microscopist to familiarise themselves with the latest analysis software and undertake appropriate training. This can be challenging, however, due to the rapid development of s...

To Pin or Not to Pin: Reproducibility trade-offs in containerised research software

Abstract Distributing research software via containers is becoming standard practice in many domains for the benefit of improving reproducibility, security, and accessibility to tools that might otherwise be difficult to install or share. Yet containerised software requires maint...

To Pin or Not to Pin: Reproducibility trade-offs in containerised research software

Abstract Distributing research software via containers is becoming standard practice in many domains for the benefit of improving reproducibility, security, and accessibility to tools that might otherwise be difficult to install or share. Yet containerised software requires maint...

Cloud-Native SIG Workshop: Deploying a Web Application with Kubernetes

The academic world is asking for more web-based software to make research more accessible to both researchers and the public. There are many challenges with writing, maintaining and deploying web services, so how, as an RSE can we make this journey easier. Cloud-Native technology...

Structural insights into the polytopic Escherichia coli phosphoglycosyl transferase WbaP

Abstract Host–pathogen interactions frequently depend on key components of the bacterial cell surface, such as capsules and lipopolysaccharides in Gram-negative bacteria. The first step in the synthesis of lipid-linked polysaccharides is the substitution of a uridine diphosphate...