CATS (Coordinates of Atoms by Taylor Series): protein design with backbone flexibility in all locally feasible directions.

Abstract excerpt

MOTIVATION: When proteins mutate or bind to ligands, their backbones often move significantly, especially in loop regions. Computational protein design algorithms must model these motions in order to accurately optimize protein stability and binding affinity. However, methods for backbone conformational search in design have been much more limited than for sidechain conformational search. This is especially true...

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