ICFN: an efficient exact algorithm for multistate protein design.

ABSTRACT:

Motivation

Multistate protein design addresses real-world challenges, such as multi-specificity design and backbone flexibility, by considering both positive and negative protein states with an ensemble of substates for each. It also presents an enormous challenge to exact algorithms that guarantee the optimal solutions and enable a direct test of mechanistic hypotheses behind models. However, efficient exact algorithms are lacking for multistate protein design.

Results

We have developed an efficient exact algorithm called interconnected cost function networks (iCFN) for multistate protein design. Its generic formulation allows for a wide array of applications such as stability, affinity and specificity designs while addressing concerns such as global flexibility of protein

SUBMITTER: Karimi M 

PROVIDER: S-EPMC6129278 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature