Your hub for 3D structure excellence
Technical insights, software modules, and strategic overviews of the Proasis enterprise system.
Software modules & specialised features
Beyond our core enterprise system, we offer a range of specialised features designed to solve specific challenges in structural biology, ligand design and antibody discovery.
Atom-based binding site clustering
Identify and group related binding environments with precision 3D structural analysis.
Beyond sequence similarity
Traditional protein family classification often relies on sequence identity, which can overlook critical structural similarities in binding pockets across unrelated proteins. Our atom-based binding site clustering uses proprietary algorithms to identify and group related binding environments based on their 3D structural motifs.
Ready to explore new targets? Contact us for a custom consultation.
Ready to explore new targets? Contact us for a custom consultation.
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Key technical advantages
Lead hopping and drug repurposing
Discover structural similarities that are not obvious through sequence alone, allowing your team to maximise the value of existing chemical libraries.
Cross-family intelligence
Identify conserved interaction patterns across disparate protein families to predict potential off-target effects or new therapeutic applications.
Automated grouping
Efficiently manage massive structural datasets by automatically categorising binding sites into searchable, related clusters.
Antibody structure-based drug discovery
Navigating the unique complexities of biologics and non-standard antibodies.
Advanced tools for complex biologics
Biologics discovery requires a specialised approach to structural analysis. The Proasis enterprise system provides a dedicated suite of tools designed specifically to map and analyse the intricate interactions of antibodies and antigens.
Accelerate your biologics pipeline. Request a technical demo of our antibody tools.
Accelerate your biologics pipeline. Request a technical demo of our antibody tools.
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Specialised modules
Antibody complementarity determining regions (CDRs)
Perform precise analysis of binding loops and paratope structures to guide affinity maturation and improve binding stability.
Antibody-antigen interactions
Detailed mapping of interface contacts and binding orientations provides a deep qualitative understanding of the paratope-epitope interface.
Multi-specific and non-standard antibodies
Navigate the complexities of emerging therapeutic formats with tools built to handle non-standard structural data.
LIGEX
Rapid searching of small molecules
Accelerating hit-to-lead timelines
LIGEX is our high-performance tool for the rapid searching of small molecule libraries. By focusing on structural compatibility and binding site requirements, LIGEX allows researchers to identify novel hits with unprecedented speed.
Stop letting fragmented data hold back your next breakthrough. Contact our team today.
Stop letting fragmented data hold back your next breakthrough. Contact our team today.
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Key features
High-speed library screening
Screen massive internal or public chemical libraries in a fraction of the time required by traditional methods.
Structural precision
Identify candidates that perfectly match the geometric and chemical requirements of your target binding site.
Seamless Proasis integration
Search results are directly integrated into your Proasis environment for immediate further analysis with Raptor and Scorpion.
Residue flexibility tool
Account for protein dynamics and conformational changes in ligand design.
Designing for a dynamic target data
Protein structures are not rigid; their flexibility is a critical factor in molecular recognition. Our residue flexibility tool allows for the detailed analysis of protein dynamics and the conformational changes that occur during the ligand binding process.
Rationalise tight binding with precision. Talk to our experts about residue flexibility.
Rationalise tight binding with precision. Talk to our experts about residue flexibility.
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Strategic benefits
Dynamic conformational analysis
Understand how a binding site adapts to different ligands to refine your design-make-test cycles.
Improved predictive accuracy
By accounting for structural movement, you can reduce reliance on trial and error and identify high-affinity leads with greater precision.
Stability assessment
Identify which residues are prone to movement and how that movement impacts the overall binding affinity score.
WaterRank
Advanced analysis of solvation to drive binding affinity and structure stability.
The science of solvation
Structural waters are frequently the deciding factor in whether a compound achieves high-affinity binding or fails during the development phase. WaterRank is a sophisticated tool designed to provide a deep, quantitative analysis of the role these waters play in the ligand binding process. By delivering data-driven insights into the solvation environment, WaterRank enables researchers to move beyond trial and error to a deep, qualitative understanding of molecular recognition.
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Technical capabilities
WaterRank stability scoring
Uses proprietary algorithms to rank the stability and relative importance of specific water molecules within a binding site.
Guidance for atom placement
Helps researchers rationalise tight binding by identifying which structural waters are essential for stability, guiding more precise atom placement.
Rational lead optimisation
Provides the data-driven insights necessary to decide whether to displace a specific water molecule or incorporate it into the interaction network for higher affinity.
Maximising experimental data
Turns raw structural data into a high-value knowledge hub by revealing solvation details that other software cannot reach.
Enterprise scientific data management: Operational excellence for Proasis
DesertSci provides a comprehensive enterprise scientific data management framework to ensure your structural intelligence environment remains high-performing, secure, and always up-to-date.
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Modelling support
Working together with experts in the field
We provide more than just software; we provide a technical partnership. Our modelling support is delivered directly by the scientists who build the tools, ensuring your team has the expert guidance required to navigate complicated structure data. Whether you require assistance with workflow automation or deep-dive analysis into specific targets, our team is an extension of yours. Contact us for a custom consultation to discuss your specific needs.
Licensing
Flexible solutions for global reach
DesertSci offers licensing models tailored to the scale of your organisation. Unlike traditional seat-based models, our licenses provide unlimited user access, ensuring your entire team can leverage our structural intelligence tools without restriction.
- Site licensing: Seamless access for single-site research teams.
- Global license: Multi-site access for global pharmaceutical organisations.
- Academic partnerships: Specialised terms and licensing for non-profit research and educational institutes.
Academic partnerships
Supporting the next generation of discovery
DesertSci is committed to the advancement of fundamental science. We provide specialised licensing for academic and non-profit research institutes, ensuring that the next generation of scientists has access to world-class structural intelligence tools.
Technical documentation and downloads
Access the latest technical brochures, product guides, and data sets for the DesertSci suite.
- Brochures: Proasis, Coalescent, Scorpion, Chameleon, Raptor, Viper, and WaterRank.
- Technical slides: Scorpion and Raptor.
- Data: Scorpion data sets.
Frequently asked questions
Common questions related to our products, integration, and services.
Where is our data hosted?
Hosting is flexible: Proasis can be deployed on a client's own infrastructure (on-premise), or on a client-managed cloud (eg AWS or Azure), or hosted and managed by DesertSci, typically on AWS. The right option depends on the client's IT and compliance requirements and is agreed during onboarding.
How is customer data protected?
Client environments are protected by role-based access controls typically SSO with multi-factor authentication, using encrypted connections. Where DesertSci provides monitoring or managed services, the monitoring layer itself uses outbound-only connections (no inbound ports opened on client servers), unique per-server credentials, and cryptographically signed commands.
Is data encrypted in transit?
Yes, https used as standard
How is user authentication handled?
Proasis is typically configured to work directly with your inhouse SSO system.
How do you handle vulnerability management and patching?
OS, 3rd party dependency, and middleware updates and patches are regularly applied. Proasis servers undergo annual vulnerability scanning.
Do you conduct penetration testing?
Yes, annual third-party vulnerability scanning and penetration testing is performed on Proasis server environments under managed services arrangements.
Do you hold any security certifications (SOC 2, ISO 27001, etc.)?
DesertSci does not currently hold formal third-party certifications such as SOC 2 or ISO 27001. Rather than a checkbox compliance programme, our security posture is built around the practical controls that these frameworks are designed to verify: role-based access controls, mandatory MFA for administrative access, TLS 1.2+ encryption in transit and encryption at rest, annual third-party penetration testing, and continuous audit logging across client environments. Formal certification against a specific framework can be scoped as part of an engagement where a client's compliance programme requires it. We're also glad to walk any customer's security or procurement team through our controls directly and support a vendor security questionnaire or audit as part of due diligence.
