The analytical Flory random coil is a simple-to-use reference model for unfolded and disordered proteins.

ABSTRACT: Denatured, unfolded, and intrinsically disordered proteins (collectively referred to here as unfolded proteins) can be described using analytical polymer models. These models capture various polymeric properties and can be fit to simulation results or experimental data. However, the model parameters commonly require users' decisions, making them useful for data interpretation but less clearly applicable as stand-alone reference models. Here we use all-atom simulations of polypeptides in conjunction with polymer scaling theory to parameterize an analytical model of unfolded polypeptides that behave as ideal chains (ν = 0.50). The model, which we call the analytical Flory Random Coil (AFRC), requires only the amino acid sequence as input and provides direct access to probability distribution

SUBMITTER: Alston JJ 

PROVIDER: S-EPMC10054940 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature