Conformational Dynamics

ZymeCAD™ incorporates a number of proprietary deterministic and stochastic simulation approaches to sample changes within the target systems, including protein backbone, sidechain, and interdomain conformational changes. Proprietary simulation analysis results in the development of an understanding of the alternate conformational states of the protein of interest and its complexes vis-à-vis its mutants. This understanding is critical as many functionally important characteristics of proteins, including binding and stability, rely on the existence of an ensemble of structures in multiple conformational sub-states and transitions.

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