Zymeworks has developed the ZymeCAD™ molecular simulation engine for protein modeling and structure-guided optimization with the unparalleled ability to relate the functional and biophysical characteristics of a protein to its structure. The proprietary insight generated by the ZymeCAD™ engine enables Zymeworks to engineer knowledge-based structural modifications that result in new or improved protein-based drugs.

The ZymeCAD™ engine combines multiple simulation methodologies into one comprehensive suite of applications, and is deployed on a clustered high-performance computational system. Our in-house computational environment takes advantage of efficient algorithms for parallelization and allows scaling across a wide range of simulations and complex problems, taking advantage of recent and emerging advances in computational architecture. Additionally, the flexibility inherent in Zymeworks’ computational infrastructure allows the Company to easily expand or modify its computational resources in response to project needs or advances in the state of the art.

The Zymeworks protein engineering approach relies on a two-expert approach, where proprietary biophysical insight generated by the ZymeCAD™ engine is used by in-house protein engineers to make knowledge-based decisions regarding structural modifications. The ZymeCAD™ engine allows Zymeworks’ protein engineers to perform multiple virtual experiments simultaneously, where proteins can be simulated in their native and mutated states. The proposed changes in the structures are simulated to evaluate if they possess properties that are conducive for the desired functional characteristics.