[phenixbb] Ringer: A program to detect molecular motions by systematic X-ray electron-density sampling
Terry Lang
terry at lego.berkeley.edu
Fri Aug 20 14:29:50 PDT 2010
The Alber lab at UC Berkeley is pleased to release of the code for
Ringer version 1.0 (http://ucxray.berkeley.edu/ringer.htm). Ringer is a
program to detect molecular motions by systematic X-ray electron-density
sampling. The aim of Ringer is to go beyond static structural snapshots
of proteins by uncovering structural ensembles in X-ray electron
density. This information can reveal not only which parts of proteins
are flexible and which parts are rigid, but it also can define alternate
conformations that may be important for function. Alternate
conformations of binding sites also may afford additional targets for
drug design. The Ringer method is described in Lang et al. /Protein
Sci/. 2010 Jul; 19(7):1420-31
<http://www.ncbi.nlm.nih.gov/pubmed/20499387>. An application of
Ringer, determining the structural underpinnings of the side chain
dynamics critical for the function of the enzyme proline isomerase, was
published in Fraser JS et al. /Nature/. 2009 Dec 3;462(7273):669-73
<http://www.ncbi.nlm.nih.gov/pubmed/19956261>. Ringer is freely
available to academics.
--
PaulaTherese Lang
Postdoctoral Scholar
Alber Lab, UC Berkeley
http://ucxray.berkeley.edu/ringer.htm
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