Computational Prediction of Coiled-Coil Protein Gelation Dynamics and Structure.

ABSTRACT: Protein hydrogels represent an important and growing biomaterial for a multitude of applications, including diagnostics and drug delivery. We have previously explored the ability to engineer the thermoresponsive supramolecular assembly of coiled-coil proteins into hydrogels with varying gelation properties, where we have defined important parameters in the coiled-coil hydrogel design. Using Rosetta energy scores and Poisson-Boltzmann electrostatic energies, we iterate a computational design strategy to predict the gelation of coiled-coil proteins while simultaneously exploring five new coiled-coil protein hydrogel sequences. Provided this library, we explore the impact of in silico energies on structure and gelation kinetics, where we also reveal a range of blue autofluorescence that enabl

SUBMITTER: Britton D 

PROVIDER: S-EPMC10777397 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature