Now showing items 41-43 of 43
Experimental characterization and molecular dynamics simulation of the allosteric transition in the Escherichia coli lactose repressor
The lactose repressor protein (LacI), a prototypic negative transcriptional regulator in E. coli, relies on an allosteric conformational change for its function. Targeted molecular dynamics (TMD) simulation of this LacI ...
Modeling protein flexibility using collective modes of motion: Applications to drug design
This work shows how to decrease the complexity of modeling flexibility in proteins by reducing the number of dimensions necessary to model important macromolecular motions such as the induced fit process. Induced fit occurs ...
Overcoming the challenges of twinning and pseudo symmetry in solving the structure of flavodoxin from Desulfovibrio desulfuricans 29577 by x-ray crystallography
In solving the structure of flavodoxin from Desulfovibrio desulfuricans 29577, crystallographic challenges of twinning and pseudo translational symmetry were encountered. The effects of both challenges were investigated ...