Catch up on our recent newsletters
Here you will find an archive of our previous newsletters, bear in mind any offers or promotions may now be expired
View More Scanshots
Clara Discovery is a collection of NVIDIA frameworks, applications and AI models that together accelerate drug discovery, support research in genomics, microscopy, virtual screening, computational chemistry, visualisation, clinical imaging and more.
Accelerate Virtual Screening
With AI and accelerated computing, millions of drug candidates can be screened against a rigid protein target.
AutoDock is a growing collection of methods for computational docking and
virtual screening for use in
structure-based drug discovery and exploration of the basic mechanisms of
biomolecular structure.
Predict Protein Structures
The 3D structure of a protein can now be predicted from its primary acid sequence using Large Language Models such as OpenFold, ESMFold and AlphaFold2. These models enable the exploration of protein structures in seconds, in conjunction with the RELION
and MELD tools to infer structures from sparse, ambiguous or noisy data.
Power Molecular Simulations
GPU-powered molecular dynamics frameworks can simulate the mechanisms of cells and
calculate how strongly a candidate drug will bind to its intended protein target.
There are a variety of tools and frameworks for molecular simulation,
including GROMACS, NAMD, Tinker-HP, VMD, TorchANI and DeePMD-Kit.
Accelerating protein-based drug discovery using molecular physics
Peptone’s team of physicists, structural biologists, computer engineers and mathematicians, in collaboration with Scan & NVIDIA, have developed Protein Engineering Operating System (PeOS). To handle massively parallel molecular simulations, the core functionality of the platform is an automated search for non-obvious protein variants with desirable therapeutic properties and cost-effective manufacturability.
AI has the potential to revolutionise drug discovery. However, for your business or organisation to embrace AI technology effectively a complete strategy is needed. Our ecosystem of GPU-accelerated hardware and cloud solutions deliver everything you need to see your AI enhanced drug discovery projects through development, training and inferencing. As every AI project is different we’re on hand with trusted advice and a host of additional services delivered by our expert team.
The PC Pro Awards are back
PC Pro’s Technology Excellence Awards are back – and Scan wants your feedback on our customer service. The survey only takes a few minutes to fill in, and in return you will be entered into a £500 prize draw.
TAKE THE SURVEY >Contact our AI experts to see how we can help you start your AI journey.
Call us on 01204 474747. Email us at [email protected]
Follow Scan Computers on:
