Technology Overview
Zymeworks’ goal is to become a global leader in the in silico modeling, engineering and design of biocatalysts and protein therapeutics.
Zymeworks has built a technology platform that combines proprietary molecular simulation software with high-performance computing to create a comprehensive environment for predictive protein optimization and design.
The ZymeCAD™ molecular simulation platform enables our multidisciplinary team of scientists to systematically research and design mutations that result in a protein optimized for a specific need.
Competitive advantages of the ZymeCAD™ platform include:
- Combined Quantum Mechanics / Molecular Mechanics support for understanding the transition state reaction mechanism of catalytic enzymes
- Proprietary sampling methods based on novel combination of Monte Carlo and molecular dynamics simulations for improved conformational search
- State-of-the-art protocols for the treatment of solvent and other simulation components
- Free energy based methods to simulate the thermodynamic significance of both individual and groups of residues to the stability and function of the protein
- Proprietary pre- and post-simulation analysis tools for detailed understanding of structural, dynamic and functional correlations between residues
- A proprietary knowledge management system to leverage bioinformatics and biochemical data around a system of interest
Zymeworks deploys its suite of molecular simulation software on a clustered computational system that currently consists of 352 state of the art processing cores. Our clustered environment takes advantage of efficient algorithms for parallelization and allows scaling across a wide range of simulations and complex problems. Additionally, the flexibility inherent in the Zymeworks cluster allows the Company to easily expand its computing power in response to project needs, and advances in the current state of the art.
Additional information can be requested by contacting Dr. Ali Tehrani