NWChem Applications Page

# NWChem Applications

Green Fluorescent Protein. A molecular dynamics simulation of wild type Green Fluorescent Protein from Aequorea victoria by Helms, Straatsma and McCammon reveals remarkably rigid structure.

HIV-1 Integrase. Nanosecond simulations were carried out of HIV-1 Integrase by Lins, Briggs, Straatsma, Carlson, Greenwald, Choe and McCammon to determine the structure of the region in the active site that was missing from published crystal structures.

Acetylcholinesterase. A molecular dynamics study has been carried out by Tara, Helms, Straatsma and McCammon on mouse acetylcholinesterase involving several nanosecond simulations of the unliganded and huperzine-liganded enzyme.