Structure selection for protein kinase docking and virtual screening: homology models or crystal structures?
Rockey WM, Elcock AH, Curr Protein Pept Sci, 2006 Oct - link

Computational sampling of a cryptic drug binding site in a protein receptor: explicit solvent molecular dynamics and inhibitor docking to p38 MAP kinase.
Frembgen-Kesner T, Elcock AH, J Mol Biol, 2006 May 26 - link