A "fuzzy"-logic language for encoding multiple physical traits in biomolecules.

ABSTRACT: To carry out their activities, biological macromolecules balance different physical traits, such as stability, interaction affinity, and selectivity. How such often opposing traits are encoded in a macromolecular system is critical to our understanding of evolutionary processes and ability to design new molecules with desired functions. We present a framework for constraining design simulations to balance different physical characteristics. Each trait is represented by the equilibrium fractional occupancy of the desired state relative to its alternatives, ranging from none to full occupancy, and the different traits are combined using Boolean operators to effect a "fuzzy"-logic language for encoding any combination of traits. In another paper, we presented a new combinatorial backbone desi

SUBMITTER: Warszawski S 

PROVIDER: S-EPMC4270444 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature