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Drug discovery with data

In the second part of our series on computational chemistry, Siân Harris looks at the role of modelling and high-quality data in the pharmaceutical industry

Sound and science

Jean-Louis Migeot argues that acoustic simulation needs to be an early part of any product design and that software is now available to ensure it can be done easily

Pharmas forward motion

The pharmaceutical industry needs new informatics tools if it is to master the age of personalised medicine, Sophia Ktori discovers

Masters of multi-tasking

Contract research organisations are using HPC to get the best out of pharmaceutical data. Sophia Ktori investigates

Compound benefits

Computers play an important role in the development of new chemical compounds today, writes Sian Harris in the first of two articles on computational chemistry

Only connect

How are high-performance interconnects managing to moving more data, faster, and over longer distances? Tom Wilkie reports

Simulation shifts gear

In the drive for efficiency, simulation is the key to powertrain design, as Warren Clark discovers

Testing times

Statistical testing need no longer be difficult or time-consuming, according to Felix Grant

The right prescription

Are informatics solutions keeping up with trends in pharma? Beth Harlen speaks to industry figures

The long road

A level of debate surrounds the question of how and when we might reach exascale computing. Industry experts share their views on the subject

Too big for its boots

The rise and rise of big data promises to drive increasingly imaginative scientific computing approaches, 
says Felix Grant

Where's the beef?

With the food and drink industry hit by another scandal, Beth Harlen questions what informatics can do to prevent future occurrences

Meeting demand

Once the sole domain of researchers with access to large budgets, high-performance computing is coming to the masses. Beth Harlen reports

Trials, tests and tribulations

Kevin McNulty, director of product marketing for life sciences at Intralinks, explores the technology behind secure collaboration within the life sciences industry

Taming turbulence

Beth Harlen investigates why turbulence remains one of the great unsolved physics problems

Pretty as a picture

What is the impact of the graphical visualisation of data within scientific computing? Felix Grant investigates

The rise of Hadoop

Hadoop, an open source software project for distributed computing, is becoming synonymous with big data. Beth Harlen speaks to industry experts to find out why

Keeping it cool

As data centres come under increasing economic and environmental pressures, Beth Harlen explores the impact of the latest cooling solutions

Free and easy?

Gary Tyreman, CEO at Univa, reveals why users of open-source software crave the most support

Advancing computing

François Robin, Jean-Philippe Nominé and Torsten Wilde share PRACEs perspective on HPC cooling

The optimisation conundrum

Carlo Poloni, president of Esteco and Engineering Professor at University of Trieste, argues in favour of optimisation

Earth, wind and fire

From natural disasters to natural resources, modelling and simulation software is improving knowledge, as Warren Clark discovers

All part of the service

The unique requirements of contract research organisations (CROs) demand the deployment of sophisticated informatics systems, as Beth Harlen discovers

The changing face of computational chemistry

Chemistry software will be split between expert tools for computational chemists and 3D desktop modelling tools to support the work of medicinal chemists, says Dr Martin Slater, director of consulting at Cresset

Body of evidence

Beth Harlen presents two case studies exploring how modelling and simulation are changing the face of medical research

The joy of text

Teasing out valuable data from a sea of text is no mean feat, as Felix Grant discovers

From farm to fork

The depth and quality of testing within agriculture is vital for ensuring food safety. Three experts share their views of how informatics aids the process

Connections changing in HPC

At first we connected our computers with Ethernet. Then InfiniBand started to dominate in HPC. Now, with RDMA over Ethernet readily available, we are starting to see a shift back to Ethernet for many systems. Paul Schreier looks at the prospects

Finding the right solution

When it comes to buying a LIMS, theres a right way and a wrong way. Autoscribes founder and CEO, John Boother, explains

Powering the future

Beth Harlen reports on the use of modelling and simulation tools in the design, development and testing of alternative energy technologies

Going places

From rocket testing to rapid transport systems, Felix Grant investigates statistics and data analysis in transport