Hartree Centre - Life sciences

Life sciences

Life Sciences is a diverse field, where advanced computational modelling and data-driven discovery both have a role to play. Being able to harness the power of high performance computing and apply it to the latest research methods is a key driver for success. The IROR Life Sciences programme combines method development with practical implementation of existing technology to build cutting-edge applications in the areas of:

Data-driven anti-microbial peptide design
Soil and crop metagenomics
Precision Agriculture

Electronically Coarse-Grained Biomolecular Simulations | Simulation for optimal cost and accuracy
We have developed a novel simulation method based on embedded Quantum Drude Oscillators which provides greater predictive power than classical Molecular Dynamics but at a reasonable cost
HPC Omics Workflows as a Service | Scaling up omics pipeline applications
We have developed a set of analysis pipelines for metagenomic, transcriptomic and genomic data using our high performance computing (HPC) resources.
Omics Analytics Toolkit | Extracting knowledge from omics data
We are developing tools which can be used to build powerful analytics pipelines for metagenomics data
Precision Agriculture | Big data for next-generation farming
We have developed a proof-of-concept platform for researchers, app developers and farmers using IBM PAIRS technology
Virtual Membrane Binding and Permeation Assay | Virtual screening for anti-microbial peptides
Rapid screening of candidate compounds remains a major challenge for the pharmaceutical industry. Accurate computation approaches to accelerate the discovery process and provide new insights into modes of action at molecular scale are very valuable.

People

Martyn Winn, Ya-Wen Hsaio, Valeria Losasso, Will Rowe, Jason Crain, Flaviu Cipcigan, Ritesh Krishna, Anna Paola Carrieri