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
John Barr looks into his crystal ball to see what is in store for HPC in the course of this year
Sean Ekins from Collaborative Drug Discovery explains to Robert Roe how science apps can be used for cheminformatics workflows
Contract research organisations are using HPC to get the best out of pharmaceutical data. Sophia Ktori investigates
Elsevier and ExactCure recently announced a collaboration to develop and offer to hospitals – without charge – drug-specific exposure models for 20 already approved medicines that are being tested as potential treatments for Covid-19.
With the world’s focus on the COVID-19 pandemic, LIMS providers are working to develop solutions tailored to assist in the testing and management of virus samples.
Researchers at Harvard Medical School (HMS) have released an open source drug discovery platform, VirtualFlow, that harnesses supercomputing power to screen potentially billions of small organic compound structures in parallel, in the hunt for promising new drug molecules.
When designing a component or system, where do you start? In days gone by, designers would literally go back to the drawing board, using their experience and expertise to develop a new concept.
Effective utilisation of computing tools is critical to both AI and HPC research, with recent projects in both fields highlighting the scientific benefit of carefully managing resources.
Advances in computer vision combined with AI computing are helping pathologists to more accurately identify subtypes of cancer - leading to better treatments for patients, explains Dan Ruderman.
