Our Services
We understand that each drug discovery campaign is unique. We provide comprehensive packages of work with a flexible approach and optimised workflows to deliver bespoke solutions that work for you in the areas of small molecule ligand-based design, structure-based design, virtual screening and enzyme, antibody and other protein engineering.
In addition to the application of bespoke methodologies developed in our group we also provide industry known protocols for example through the use of MOE (Chemical computing group) and Rosetta.
Our group is constantly developing new methods including novel ligand generation approaches using AI and is committed to providing access to the most recent effective methods to our customers.
Technology Areas
PROTOSCORE RF™ AND EMPEROR
ProtoScoreRF™ is a fast and accurate empirical scoring function for protein-ligand interaction energies for use in virtual screening evaluating over 10 million available compounds. Benchmarking studies show superior accuracy compared to industry standard algorithms and it has been used to successfully identify actives in many campaigns on diverse targets
Emperor is a classification technology used alongsideProtoScoreRF™ to identify potential false positives from screening and is trained on known and decoy binding compounds.
Protein Modelling Services
Lead optimisation
Lead optimisation is effected by the construction of virtual libraries, the use of RxNfinity™, ProtoBuild™, and affinity prediction through ProtoScoreRF™ and FEP.
Protein engineering
ProsaRx provide access to a bespoke toolkit for protein design and optimisation, via algorithms such as ASA and ProShuffle™. Our protein engineers are experts in using toolkits such as MOE and Rosetta. Services offered include:
• Protein affinity maturation
• Protein stability prediction
• IP analysis and optimisation strategies
PROTOSCREEN™ VIRTUAL SCREENING
This state-of-the-art screening software includes ProtoScoreRF™, an advanced scoring function benchmarked to be more accurate than other industry standards and a regularly updated compound database (PCD) of >10M available compounds pre-screened for drug-likeness. An increased coverage of compound conformational space with respect to industry standard protocols is enabled.
ANTIBODY ENGINEERING
• Antibody model construction and binding interaction analysis
• In silico affinity optimisation prediction
• Assessment of residue changes for humanisation
• Assessment for developability and potential liabilities
For Antibody Discovery/Galaxy® library, please see our sister company RxBiologics.
Intellectual property
The ProsaRx team have had significant experience in assessing intellectual property and establishing project strategies for FTO for both small molecule and protein designs. Talk to us about your problems – we offer services to assess your field of interest either to provide support for investment potential or for an independent project view within an existing project.
We are a highly experienced computational team of problem solvers. We are flexible in how we work which frequently involves iterative rounds with our partners. We have an extensive track record in identifying and optimising active compounds for both recognised and novel targets as well as in optimising and designing proteins for property improvement (both for SynBio and Pharma objectives). We have a differentiated technology in small molecule design and implement novel approaches to protein design.
Advanced small molecule and protein design services using our state-of-the-art ProtoDiscovery™ computational platform.
Get in touch
Call Us 01223 839557
Email Us [email protected]
Visit Us
Dorothy Hodgkin Building,
Babraham Research Campus,
Babraham, Cambridge CB22 3FH