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GRID/GOLPE analysis

Figure 2.1. Results of chemometric analysis by the GRID/GOLPE method for23 different WW domains, (a) Plot of the predicted vs. experimental NMR chemical shift perturbation (CSP). (b) Important contributions to recognition of tyrosine-containing peptides are shown. The WW domain (WWP3-1) is... Figure 2.1. Results of chemometric analysis by the GRID/GOLPE method for23 different WW domains, (a) Plot of the predicted vs. experimental NMR chemical shift perturbation (CSP). (b) Important contributions to recognition of tyrosine-containing peptides are shown. The WW domain (WWP3-1) is...
Cruciani, G. and Watson, K.A. Comparative molecular field analysis using GRID force-field and GOLPE variable selection methods in a study of inhibitors of glycogen phosphorylase b. [Pg.139]

Cmciani, G., Watson, K. Comparative Molecular Field Analysis Using GRID Force Field and GOLPE Variable Selection Methods in a Study of Inhibitors of... [Pg.245]

The close integration of MIF calculation, chemometrical analysis and visualization in GOLPE is an additional advantage which allows a straightforward application of the methodology. With GRID MIFs from different probes, one achieves a comprehensive description of possible interactions in the binding site. Additionally, PCA is a very effective tool for the comparison of the structures on a rational basis. [Pg.77]

See other pages where GRID/GOLPE analysis is mentioned: [Pg.477]    [Pg.237]    [Pg.449]    [Pg.161]    [Pg.233]    [Pg.233]    [Pg.73]    [Pg.477]    [Pg.237]    [Pg.449]    [Pg.161]    [Pg.233]    [Pg.233]    [Pg.73]    [Pg.59]    [Pg.74]    [Pg.226]    [Pg.34]    [Pg.145]    [Pg.146]    [Pg.147]    [Pg.149]    [Pg.164]    [Pg.165]    [Pg.227]    [Pg.596]    [Pg.353]    [Pg.405]    [Pg.474]    [Pg.228]    [Pg.48]    [Pg.51]    [Pg.154]    [Pg.473]    [Pg.596]    [Pg.346]    [Pg.347]    [Pg.173]   
See also in sourсe #XX -- [ Pg.449 ]

See also in sourсe #XX -- [ Pg.304 ]

See also in sourсe #XX -- [ Pg.304 ]



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GOLPE

GRID/GOLPE

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