drug discovery

Understanding compound selectivity and pocket druggability with data-driven drug design

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Selectivity is a crucial property in the development of new active pharmaceutical ingredients (APIs). Binding site comparisons within a protein family are key to understanding how to modulate the selectivity profile of a potential new API, which includes understanding both on- and off-target effects. 

Atos unveils the BullSequana XH3000

Atos has unveiled its new exascale-class supercomputer, the BullSequana XH3000, a hybrid computing platform that will enable scientists and researchers to advance research in sectors such as weather forecasting and climate change, new drug discovery, genomics

EMBL-EBI training course. Credit: Jeff Dowling

Software advances speeding drug discovery

Sophia Ktori explores the role cheminformatics software providers play in supporting scientists in academia and industry to better understand the properties of potential new drugs.

Connecting science

 Sophia Ktori considers how software integration helps ensure scientists work efficiently in the laboratory

Enabling data integrity from drug discovery through manufacturing

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There's no aspect of quality control quite as complex as keeping up with regulatory guidelines. Today, regulators are focused on data integrity, data security and consistent laboratory practices, which is driving many laboratories to leverage digital technology to automate their laboratory operations.

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