The primary focus of Moleculomics technologies are to provide molecular information to assist the discovery and development of new chemical compounds and therapeutics. These technologies are the result of an academic track record of structural bioinformatics algorithm and software development since 2001. The resulting technologies are uniquely powerful and uniquely validated in their design, proofing and optimisation by extensive application to a number of protein families, including ion channels, transport proteins, enzymes, structural proteins, drug and viral receptors, reported in 40+ top quartile journal publications.
The structural modelling pipelines are based on both homology modelling and threading techniques to provide the most comprehensive and accurate outputs possible. The structural modelling tools are supplemented with a series of tools to identify and derive a host of information relating to molecular interactions between structural models and compounds of interest. These world leading tools include;
- A protein modelling platform capable of modelling both wild-type and conformational differences of variant forms at pan-genome and multi-genome scale, based on both homology modelling and threading techniques to provide the most comprehensive and accurate outputs possible;
- A machine learning based screening pipeline capable of systematically predicting and linking the interactions between proteins and molecules, to provide immensely valuable new knowledge of whole organism affinity and toxicity of millions of compounds and;
- A structural-based high throughput platform integrated with an in vitro knowledgebase for the prediction of protein-protein interactions at whole genome scale.
The full scope of these technologies has been demonstrated in the establishment of whole proteome structural sets for human, two yeasts and a number of bacteria. A series of tools have been developed, validated and applied to; protein modelling, lead discovery , toxicity screening and pathway analysis tools . For more information, please see the case studies below.
The Moleculomics technologies utilize the latest High Performance Computing approaches, scaled to identify interactions, not only at the targets of interest, but also elsewhere across the entire proteome or across several proteomes.
Increased scale of understanding of molecular interaction enables research and development times to be reduced by more rapid and wider identification of target hits while simultaneously reducing the risk of adverse or off-target interactions.
Moleculomics is the only company offering open-ended lead discovery, toxicity screening and protein network identification, that is completely unlimited in reach, and that is applied across multiple genomes.