CCL: apo enzyme



 Sent to CCL by: "Elaine  Meng" [meng^cgl.ucsf.edu]
 Hi Rajarshi,
 This isn't my main area of work nowadays, so I don't know of a good review off
 the top of my head.
 However, I tried searching PubMed using
 ("binding site"[tiab] OR "active site"[tiab]) AND
 prediction[tiab] AND review[pt]
 which yielded some possibly useful articles including
 Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M, Miteva MA.
 Free resources to assist structure-based virtual ligand screening experiments.
 Curr Protein Pept Sci. 2007 Aug;8(4):381-411. Review.
 Laurie AT, Jackson RM.
 Methods for the prediction of protein-ligand binding sites for structure-based
 drug design and virtual ligand screening.
 Curr Protein Pept Sci. 2006 Oct;7(5):395-406. Review.
 Flower DR.
 Receptor-binding sites: bioinformatic approaches.
 Methods Mol Biol. 2006;316:291-358. Review.
 Also, publications describing the many various individual methods usually
 include some estimate of success rate based on comparison to a set of knowns,
 sometimes relative to other similar methods.  I remember the CASTp papers saying
 that in some high percentage of cases, the largest pocket is the active or
 binding site of a protein.
 Best,
 Elaine
 -----
 Elaine C. Meng, Ph.D.                          meng*_*cgl.ucsf.edu
 UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
 Department of Pharmaceutical Chemistry
 University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html