Our Platform

The Alivexis’ Drug Discovery Platform integrates and combines our expertise in cutting-edge supercomputing technologies, advanced structural analysis methods, synergistic technology / drug discovery collaborations with our partners, and a globally agile networked operational model. The result is a radically efficient, modular, and scalable drug discovery engine.

Intelligent Supercomputing

Our intelligent supercomputing platform is comprised of cutting-edge technologies including GPU-accelerated physics-based simulations, ultra large-scale virtual screening algorithms, and specialized machine learning algorithms built for specific discovery programs.

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-protein 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 targets 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 exploration of chemical space that is more than 10000 times greater than typical experimental screening campaigns.

Furthermore, we have successfully developed ModBind™, our unique activity prediction algorithm, which is now integrated into several drug discovery projects, significantly speeding up the identification of clinical candidate compounds.

Advanced Structural Analysis

Alivexis 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. We perform modeling of structures using various technologies, including AI.

We already possess over 100 unique drug discovery target structures and binding structures, including entirely novel entities, and we are expanding our repertoire of drug target structure information on a daily basis.

Synergistic and Strategic Collaborations

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 Alivexis’ platform to identify, analyze, and pursue novel approaches towards targets and compound profiles that have previously been considered difficult.  Under this collaboration, by using selective and potent peptides obtained through PDPS as probes, we are discovering new target structures and compound binding sites, aiding in the search for new small molecule compounds for various targets at Alivexis.  For leading projects, we have already identified clinical candidate compounds.

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 novel approaches to small-molecule drug discovery.

Globally Networked Operations

Alivexis is building an agile and scalable drug discovery research operation system through a lean internal team of Alivexis’ 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 cutting-edge of biology and technology to advance Alivexis’ drug discovery pipeline.

The result is an efficient networked operational model with the ability to rapidly and flexibly mobilize, and pivot and adapt critical R&D functions as our discovery programs evolve.