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. 2006 Jul 1;34(Web Server issue):W310-4.
doi: 10.1093/nar/gkl206.

GRAMM-X public web server for protein-protein docking

Affiliations

GRAMM-X public web server for protein-protein docking

Andrey Tovchigrechko et al. Nucleic Acids Res. .

Abstract

Protein docking software GRAMM-X and its web interface (http://vakser.bioinformatics.ku.edu/resources/gramm/grammx) extend the original GRAMM Fast Fourier Transformation methodology by employing smoothed potentials, refinement stage, and knowledge-based scoring. The web server frees users from complex installation of database-dependent parallel software and maintaining large hardware resources needed for protein docking simulations. Docking problems submitted to GRAMM-X server are processed by a 320 processor Linux cluster. The server was extensively tested by benchmarking, several months of public use, and participation in the CAPRI server track.

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Figures

Figure 1
Figure 1
Prediction for CAPRI Target 18 (TAXI xylanase inhibitor and Aspergillus niger xylanase; 1.8 Å r.m.s.d. prediction accuracy for the ligand interface area). The correct and the predicted structures are shown in different colors.

References

    1. Katchalski-Katzir E., Shariv I., Eisenstein M., Friesem A.A., Aflalo C., Vakser I.A. Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques. Proc. Natl Acad. Sci. USA. 1992;89:2195–2199. - PMC - PubMed
    1. Vakser I.A., Aflalo C. Hydrophobic docking: a proposed enhancement to molecular recognition techniques. Proteins. 1994;20:320–329. - PubMed
    1. Vakser I.A. Protein docking for low-resolution structures. Protein Eng. 1995;8:371–377. - PubMed
    1. Marshall G.R., Vakser I.A. Protein–protein docking methods. In: Waksman G., editor. Proteomics and Protein–Protein Interaction: Biology, Chemistry, Bioinformatics, and Drug Design. Springer, NY: 2005. pp. 115–146.
    1. Tovchigrechko A., Vakser I.A. Development and testing of an automated approach to protein docking. Proteins. 2005;60:296–301. - PubMed

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