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ALBECCIS

Project ALBECCIS
Research Area Bio Sciences
Principal Investigator(s) Prof. Peter V. Coveney
Institution(s)
  • University of Durham, UK
  • University College London, Centre for Computational Science, UK

Abstract

Four research projects will be undertaken building on programmes of work funded through major EU and UK based initiatives. The first is to support a combination of EU funding, in the FP6 funded e-Health project called ViroLab that requires access to DEISA resources to meet our objectives within Europe, and the UK EPSRC/MRC/BBSRC funded life sciences interface doctoral training centre ’CoMPLEX’ programme (EP/F500351/1). This project aims to demonstrate the feasibility of HIV/AIDS related patient-specific drug treatment based on the determination of patient-specific protease and reverse transcriptase drug binding affinities, which must also be computed in a matter of days to impact clinical decisionmaking.
The second project aims to address simulation of the action of novel anticancer therapies and will underpin work funded in the EU funded Contra Cancrum project and Virtual Physiological Human Network of Excellence. The final two projects are materials science related and both are funded UK national priorities; one intends to extend our studies of clay-polymer nanomaterials in order to better understand their materials properties and boosts capability in the UK Technology Strategy Board funded ’New Improved Muds from Environmental Sources’ project (CRD Q2506L) and adds to the EPSRC ’RealityGrid’ platform grant (EP/C536452/1); the other is concerned with lattice-Boltzmann simulations aimed at unravelling the role of defects in the large scale rheological properties of amphiphilic fluids and DEISA time will boost research to the EPSRC ’large-scale lattice Boltzmann simulations of liquid crystals’ project (EP/E045111/1). These applications will exploit highly scalable molecular dynamics codes and associated workflows; these can be managed by the Application Hosting Environment that seamlessly links distributed HPC resources, both within DEISA and to other machines, such as HECToR, in the UK.

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