At Modulus Discovery, we are making breakthrough discoveries in small-molecule targeted therapeutics through expert integration of our novel biology insights, the latest supercomputing and structure analysis technologies, and innovative drug discovery collaborations with our partners. The result is a radically scalable and modular networked drug discovery engine.

As experienced drivers of technology in drug discovery, we designed our R&D process from the ground up and built our platform and portfolio of programs with a single-minded focus to enable the efficient discovery of the next generation of small-molecule therapeutic candidates needed by patients worldwide.


Intelligent Computing

–Our Intelligent Computing Platform combines 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 induced-fit 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 or relatively less characterized (e.g., allosteric) flexible binding pockets with higher precision and confidence.

–Our physically realistic simulations allow for the virtual estimation of ligand-protein binding affinities through free energy perturbation theory at accuracy levels approaching those of experiment but with a fraction of the cost of actual synthesis and assaying, results in accelerating identification of the clinical candidates.

–In addition, our platform includes computational compound screening capabilities at unprecedented scales and efficiencies (e.g., 10 billion compounds per day), enabling evaluation of chemical space that is roughly 10000 times greater than typical experimental high throughput screening campaigns.

Advanced Target Structure Analysis

–Modulus invests significantly in the procurement of 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 competitive advantage.

–In addition to active efforts to obtain target structures through protein crystallization, we are working closely with top-tier collaborators with state-of-the-art Cryo-EM capabilities and knowledge, enabling us to determine structures for targets that were inaccessible through traditional crystallization approaches.

–In addition to our own novel and proprietary structures, our growing internal structural database contains a large number of non-public structures obtained from our exclusive collaboration partners.

Innovative 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 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 institutes 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 external scientific consultants and advisors in specialized disease biology areas, and carefully selected high-quality contract research organizations (CROs), resulting in an efficient networked operational model with low fixed-costs, and the ability to mobilize, pivot, and discontinue critical R&D functions as our discovery programs rapidly evolve.

–We capitalize on our rich professional networks built over many years in the pharma industry to access specialized functions, experts, and companies at the forefront of biology and technology. This is a critical element that enables us to efficiently manage our highly complex style of networked operations.

Discovery Portfolio Architecture

Traditionally, drug discovery R&D in the pharmaceutical industry has followed a linear and reductionist Disease ➔ Gene ➔ Protein ➔ Therapeutic Development paradigm. By contrast, we are constructing our proprietary drug discovery pipeline based on the comprehensive analysis of a large number of interrelated targets within several emerging core areas of biology that are linked to a wide range of potential indications.

We believe target selection is one of the most important steps in drug discovery that largely determines the success or failure of a research program. Because of this, we not only perform an objective and thorough biological, chemical, clinical, and computational analysis of targets, but also consider the projected speed of progression and efficiency of the discovery program and its estimated success probability based on suitability to our core competencies, our platform, and our network of partners to establish a risk-balanced and high value drug discovery research portfolio.

In recent years, our understanding of fundamental biology has been increasing rapidly especially in a number of focused areas of research such as epigenomic control and translational machinery. Over the course of our prior drug discovery experiences, our R&D team has accumulated and developed a specialized understanding and track record within multiple such core biology areas and have been closely following the emerging research.  We are fully leveraging our computational platform to enable the rigorous and comprehensive analyses of both validated and newer targets within these core areas, enabling discovery of innovative therapeutics and development strategies and subsequent translation into clinical areas with high or unmet need such as oncology and genetic diseases.

Discovery Pipeline

Based on our R&D expertise and growing knowledge base from our internal programs, our pipeline is currently focused enriched in the areas of oncology, immunology / chronic inflammation diseases, and rare genetic conditions as primary therapeutic areas.


All of our programs are solely owned by Modulus, and we are open for any partnering and collaboration opportunities.

Although our pipeline is enriched in specific therapeutic areas, we are open to considering a wide range of drug discovery and technology collaborations regardless of diseases or technologies.