NWChem/web/applications/index.html
2006-01-12 20:28:40 +00:00

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<TITLE>NWChem Applications Page</TITLE>
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<H1><I>NWChem Applications</I></H1>
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<A HREF="gfp.html" TARGET="mainframe">Green Fluorescent Protein</A>. A molecular dynamics
simulation of wild type Green Fluorescent Protein from <I>Aequorea victoria</I> by Helms,
Straatsma and McCammon reveals remarkably rigid structure.
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<A HREF="hiv1_int.html" TARGET="mainframe">HIV-1 Integrase</A>. 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.
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<A HREF="ache.html" TARGET="mainframe">Acetylcholinesterase</A>. 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.
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