Molecular Simulations
Having an in-depth knowledge of the atomic motions and their collective character in proteins is central to the understanding of their biological function. Experimentally, studying atomic motion is very difficult, however the information can be extracted from structure-based computational molecular simulations.
Molecular simulations is the science of studying molecular structure and behavior through computational and theoretical techniques. More specifically, It is founded on the notion that molecular geometry, energy and various molecular properties can be calculated from mechanical models adhering to basic physical forces. In recent years, computational techniques for modeling biological molecules have emerged as an important complement to wet-lab experimentation. It is has been repeatedly shown that computer-generated simulations are essential for analyzing structural and kinetic details that are extremely difficult to capture experimentally.
Molecular simulation technology innovation at Zymeworks is focused on the development of computational tools that will generate the necessary insight required to solve intractable enzyme engineering needs. Zymeworks' computational chemists, software developers and enzyme engineers work closely together to research and develop new algorithms and tools that build on established principles and practices in the field. This coordinated collaboration between the ‘users’ and the ‘developers’ has positioned Zymeworks at the bleeding-edge of computational enzyme design and engineering.