MD simulations of anthrax edema factor: calmodulin complexes with mutations in the edema factor "switch a" region and docking of 3'-deoxy ATP into the adenylyl cyclase active site of wild-type and mutant edema factor variants.
Zhao J, Roy SA, Nelson DJ, J Biomol Struct Dyn, 2003 Oct - link

Fold recognition, homology modeling, docking simulations, kinetics analysis and mutagenesis of ATP/CTP:tRNA nucleotidyltransferase from Methanococcus jannaschii.
Bujnicki JM, Albert MA, Nelson DJ, Thurlow DL, Proteins, 2003 Aug 15 - link