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.
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Benchling has introduced capabilities for designing, modelling, and studying natural and chemically modified RNA in a single solution
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
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.
Robert Roe explores the services and software available to support organisations drug discovery research
Sophia Ktori considers how software integration helps ensure scientists work efficiently in the laboratory
Synthace and Ipsen two European specialists in biopharma and integrative software are working together to advance drug discovery by reducing the cost of design, construction and screening of new compounds
Optibrium, Intellegens and Medicines Discovery Catapult have announced that they have been awarded a £1 million grant from Innovate UK to support the development of artificical Intelligence (AI) in drug discovery
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.
A roundup of software tools available to scientists using HPC and AI software
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Scientists and researchers are using AI to help accelerate the discovery of new drugs for a wide variety of different medical applications.
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Integrators and cloud providers help facilitate access to HPC and deliver additional expertise and support, which helps scientists to effectively use computing resources, finds Robert Roe
Today’s DNA sequencing technologies now make it possible to sequence whole human genomes cost effectively and with speed.
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The world of MultiBody Dynamics simulation is changing, writes Gemma Church
Quantum technology is going through a period of rapid development, with several technologies driving the adoption of this emerging computing framework, finds Robert Roe
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A roundup of cloud technology providers that support researchers using HPC
