Ontology highlight
ABSTRACT:
SUBMITTER: Wahle CW
PROVIDER: S-EPMC5830141 | biostudies-literature | 2017 Sep
REPOSITORIES: biostudies-literature
Wahle Christopher W CW Martini K Michael KM Hollenbeck Dawn M DM Langner Andreas A Ross David S DS Hamilton John F JF Thurston George M GM
Physical review. E 20170925 3-1
We model screened, site-specific charge regulation of the eye lens protein bovine gammaB-crystallin (γB) and study the probability distributions of its proton occupancy patterns. Using a simplified dielectric model, we solve the linearized Poisson-Boltzmann equation to calculate a 54×54 work-of-charging matrix, each entry being the modeled voltage at a given titratable site, due to an elementary charge at another site. The matrix quantifies interactions within patches of sites, including γB char ...[more]