Small-molecule binding sites

LIGSITE Automatic and Efficient Detection of Potential Small Molecule Binding Sites in Proteins. 

Hendlich, M. Rippmann, F. Barnickel, G. LIGSITE automatic and efficient detection of potential small molecule-binding sites in proteins. J. Mol. Graph. Model. 1997,15 (6), 359-363. 

Snyder, K. A., Feldman, H. J., Dumontier, M., Salama, J. J., Hogue, C. W. (2006). Domain-based small molecule binding site annotation. BMC Bioinformatics, 7, 152. 

Sotriffer, C. and Klebe, G. (2002) Identification and mapping of small-molecule binding sites in proteins computational tools for structure-based drug design. Far-maco 57, 243-251. 

Molteni V, Greenwald J, Rhodes D et al (2001) Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Cryst Sect D 57 536-544... 

Coleman, R.G., Salzberg, A.G., Gheng, A.G. Structure-based identification of small molecule binding sites using a free energy model. J. Ghem. Inf. Model. 2006,46,2631-7. 

E. T., Hajduk, P.J., Rosenberg, S.H., and Elmore, S.W. (2007) Discovery of a novel small molecule binding site of human survivin. Bioorganic and Medicinal Chemistry Letters, 17 (11), 3122—3129. 

Hendlich, M., Ripjpmann, F. Barnickel, G. (1997). LIGSITE automatic and efficient detection of potential small molecule-binding sites in proteins. Journal of Molecular Graphics Modelling, Vol.l5, No.6, p>p. 359-63,389 Henrich, S., Salo-Ahen, O.M, Huang, B., Ripjpmann, F.F., Cruciani, G. Wade, R.C. (2010). 

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