We apply cutting-edge supercomputing technologies, such as GPU-accelerated physics-based simulations, ultra large-scale virtual screening algorithms, and specialized machine learning algorithms to enable rigorous and large-scale pre-screening of protein targets and chemical compound proposals.
Because our platform enables rigorous dynamics simulations of proteins in fully solvated environments, it excels in the precise characterization and prediction of protein flexibility involved for example in ligand binding, and complex solvent-protein interactions that dominate drug binding energetics. In turn, this enables the targeting of previously known but difficult targets, as well as novel ones with higher precision and confidence.
Our physically realistic simulations allow for the virtual estimation of the potential efficacy of molecules through free energy perturbation theory at accuracy levels approaching those of experiment but at a fraction of the cost of chemical synthesis and biological tests. This enables the efficient pre-screening of a large number of molecular candidates prior to experimental testing.
Our platform also enables higher throughput computational compound screening capabilities at unprecedented scales and efficiencies (e.g., 10 billion compounds per day), enabling evaluation of chemical space that is more than 10000 times greater than typical experimental screening campaigns.
Advanced Structural Analysis
Modulus invests significantly in obtaining unique, exclusive, and high-quality 3-dimensional drug target structures, allowing us to fully leverage our supercomputing technology platform and providing our portfolio with a unique advantage.
In addition to active efforts in pursuing target structures through protein crystallization, we are working closely with top-tier collaborators with state-of-the-art Cryo-EM capabilities, enabling us to determine structures for targets that were inaccessible through traditional crystallization approaches.
Our growing internal structural database contains our own novel and proprietary structures, as well as large number of non-public structures shared with us through our exclusive collaboration partners.
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In close collaboration with our partners, we are actively building innovative combinations of our platform with various other experimental platforms, techniques, novel active lead molecules, and biological approaches.
Our collaboration with PeptiDream Inc. is a unique example in which we combine PeptiDream’s Peptide Discovery Platform System (PDPS) with our platform to identify, analyze, and pursue novel approaches to modulate the activities of difficult or relatively uncharacterized emerging target proteins through the identification and use of high affinity peptide binders as probe molecules.
In addition to our PeptiDream collaboration, we are working closely with multiple partner companies and academic institutions at the forefront of various research and technology areas to pursue high value drug discovery collaborations.
Scalable Networked Operations
Modulus maintains a highly flexible, modular, and scalable drug discovery operation through a lean internal team of experienced scientific leaders working closely with multiple industry partners and prominent scientific advisors in specialized disease biology areas.
We capitalize on our rich professional networks built over many years in the pharma industry and our global experience working with partners to access specialized functions, experts, and companies at the forefront of biology and technology.
The result is an efficient networked operational model with the ability to quickly mobilize and pivot critical R&D functions as our discovery programs rapidly evolve.