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Items: 8


Docking Screens for Novel Ligands Conferring New Biology.

Irwin JJ, Shoichet BK.

J Med Chem. 2016 May 12;59(9):4103-20. doi: 10.1021/acs.jmedchem.5b02008. Epub 2016 Mar 15.


Structural characterization of the late competence protein ComFB from Bacillus subtilis.

Sysoeva TA, Bane LB, Xiao DY, Bose B, Chilton SS, Gaudet R, Burton BM.

Biosci Rep. 2015 Mar 31;35(2). pii: e00183. doi: 10.1042/BSR20140174.


Investigation of specificity determinants in bacterial tRNA-guanine transglycosylase reveals queuine, the substrate of its eucaryotic counterpart, as inhibitor.

Biela I, Tidten-Luksch N, Immekus F, Glinca S, Nguyen TX, Gerber HD, Heine A, Klebe G, Reuter K.

PLoS One. 2013 May 21;8(5):e64240. doi: 10.1371/journal.pone.0064240. Print 2013.


Systematic placement of structural water molecules for improved scoring of protein-ligand interactions.

Huggins DJ, Tidor B.

Protein Eng Des Sel. 2011 Oct;24(10):777-89. doi: 10.1093/protein/gzr036. Epub 2011 Jul 19.


Docking screens: right for the right reasons?

Kolb P, Irwin JJ.

Curr Top Med Chem. 2009;9(9):755-70. Review.


The role of aspartic acid 143 in E. coli tRNA-guanine transglycosylase: insights from mutagenesis studies and computational modeling.

Todorov KA, Tan XJ, Nonekowski ST, Garcia GA, Carlson HA.

Biophys J. 2005 Sep;89(3):1965-77. Epub 2005 Jun 10.


Decoys for docking.

Graves AP, Brenk R, Shoichet BK.

J Med Chem. 2005 Jun 2;48(11):3714-28.


Virtual screening of chemical libraries.

Shoichet BK.

Nature. 2004 Dec 16;432(7019):862-5. Review.

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