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.
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
