The 3D structure foundation for modern drug discovery
Empowering global pharmaceutical and biotech organisations with the world’s most advanced protein structure database supporting AI-enabled discovery.
Cutting edge software.
Seamless integration.
DesertSci delivers high-performance bioinformatics and cheminformatics solutions designed to streamline the drug discovery pipeline. At our core is a proprietary protein structure database system that integrates effortlessly into your existing workflow, turning fragmented data into actionable insights.
A proprietary protein structure database
We believe that informatics should be a bridge, not a barrier.
By combining 25 years of scientific rigor with modern machine learning, we help research teams break through the traditional barriers of discovery.
From small molecule lead optimisation to antibody discovery, our tools are built by scientists to empower scientists.
The Proasis
enterprise system
Integrated solution for the future of medicine
Our approach allows you to build a structural biology infrastructure that fits your specific research needs. Whether you are a specialist lab focused on structure-based or fragment-based drug discovery or a global enterprise managing a massive data mesh, the Proasis enterprise system scales with your ambition.
The foundation for protein structure analysis and data management.
Advanced interaction analysis and quantitative binding affinity scoring.
Automated ligand design powered by deep learning.
Secure external collaboration for CROs and partners
Software packages
Choose the solution that fits your lab
Scalable tiers and expert-led support for global research.
Enterprise scientific data management
Expert oversight for your informatics infrastructure
DesertSci provides more than just software. To ensure your structural intelligence environment remains high-performing and secure, we offer a comprehensive Enterprise scientific data management policy covering monitoring, patching, and administration.
Our framework allows your internal teams to focus on discovery while we manage the technical integrity and security of the Proasis enterprise system.
Our framework allows your internal teams to focus on discovery while we manage the technical integrity and security of the Proasis enterprise system.
Smarter outcomes
Our core capabilities
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Why global research leaders choose DesertSci
Proven performance in 3D structure intelligence
Discover how global pharmaceutical leaders experienced the difference using our enterprise-standard agile tools.
Sharper outcomes
In a complex fragment-based lead discovery project targeting novel therapeutics for Schizophrenia, researchers utilised our Viper software to design new high-affinity ligands. By applying our advanced 3D structure intelligence, the team achieved site-specific precision that other methods simply cannot match.
Faster outcomes
A highly trained molecular modeller used their modelling software to get results in 24 hours. DesertSci’s software displayed the answer in a matter of seconds. Our competitors need domain experts working for hours, or even days, to achieve what our software can in moments.
Safer outcomes
A company had to end the promising development of an anti-migraine drug due to it having a side effect. Using our tools, they identified and optimised a key interaction site, thus creating a new candidate with not only potent efficacy, but no adverse side effects. Our software was an essential tool in discovering a novel anti-migraine drug.
More effective outcomes
Scientists used our software to develop a schizophrenia drug. It pinpointed a binding hotspot and colour-coded the ideal atom placement. By following the guidance of the software, they created a highly active compound that progressed into development and proved the power of protein-driven design.
Effective outcomes using Coalescent
A top 20 global pharma company running a kinase inhibitor program needed their external CRO to work from the same structural data as their internal team. With DesertSci’s Coalescent tool, the company’s Proasis database automatically packaged all relevant project structures, ligand data, and protein-ligand data analyses into a self-contained session file, delivered directly to the CRO’s scientist’s desktops. Updated automatically whenever new data came in, the CRO team always worked from current, complete information with no manual hand off effort, no version drift, and no IP exposure beyond the project scope.
Leading the conversation at the intersection of bioinformatics and cheminformatics
Explore the latest thinking from our team of experts, from managing AlphaFold predicted models, to the future of toxicity prediction in drug development.
July 20, 2026
What twenty-five years taught us about protein structure data
How a major pharmaceutical collaboration highlighted the critical need for interrogable data pipelines in the era of machine learning
June 9, 2026
Proasis doesn't hallucinate
Why scientific judgement still matters in AI-driven drug discovery
Ready to find better drugs, faster?
In the race to bring new therapeutics to market, the quality of your data is your greatest competitive advantage. DesertSci provides the tools you need to identify high-affinity leads with greater precision, reducing failure rates and lowering toxicity levels.
Our integrated enterprise system allows your team to move seamlessly from raw 3D structure data to sophisticated lead optimisation. Don't let fragmented data hold back your next breakthrough. Join the leading organisations that are already partnering with DesertSci to redefine what is possible in medicines research.
Our integrated enterprise system allows your team to move seamlessly from raw 3D structure data to sophisticated lead optimisation. Don't let fragmented data hold back your next breakthrough. Join the leading organisations that are already partnering with DesertSci to redefine what is possible in medicines research.
