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Items: 13


WONKA: objective novel complex analysis for ensembles of protein-ligand structures.

Bradley AR, Wall ID, von Delft F, Green DV, Deane CM, Marsden BD.

J Comput Aided Mol Des. 2015 Oct;29(10):963-73. doi: 10.1007/s10822-015-9866-z. Epub 2015 Sep 19.


OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural data.

Bradley AR, Wall ID, Green DV, Deane CM, Marsden BD.

J Chem Inf Model. 2014 Oct 27;54(10):2636-46. doi: 10.1021/ci500245d. Epub 2014 Oct 9.


Cellulose degradation by oxidative enzymes.

Dimarogona M, Topakas E, Christakopoulos P.

Comput Struct Biotechnol J. 2012 Nov 9;2:e201209015. doi: 10.5936/csbj.201209015. eCollection 2012. Review.


Data management in the modern structural biology and biomedical research environment.

Zimmerman MD, Grabowski M, Domagalski MJ, Maclean EM, Chruszcz M, Minor W.

Methods Mol Biol. 2014;1140:1-25. doi: 10.1007/978-1-4939-0354-2_1.


PeptiSite: a structural database of peptide binding sites in 4D.

Acharya C, Kufareva I, Ilatovskiy AV, Abagyan R.

Biochem Biophys Res Commun. 2014 Mar 21;445(4):717-23. doi: 10.1016/j.bbrc.2013.12.132. Epub 2014 Jan 6.


BioSuper: a web tool for the superimposition of biomolecules and assemblies with rotational symmetry.

Rueda M, Orozco M, Totrov M, Abagyan R.

BMC Struct Biol. 2013 Dec 13;13:32. doi: 10.1186/1472-6807-13-32.


Embedding and publishing interactive, 3-dimensional, scientific figures in Portable Document Format (PDF) files.

Barnes DG, Vidiassov M, Ruthensteiner B, Fluke CJ, Quayle MR, McHenry CR.

PLoS One. 2013 Sep 25;8(9):e69446. doi: 10.1371/journal.pone.0069446. eCollection 2013.


Pocketome: an encyclopedia of small-molecule binding sites in 4D.

Kufareva I, Ilatovskiy AV, Abagyan R.

Nucleic Acids Res. 2012 Jan;40(Database issue):D535-40. doi: 10.1093/nar/gkr825. Epub 2011 Nov 12.


Recognition and specificity determinants of the human cbx chromodomains.

Kaustov L, Ouyang H, Amaya M, Lemak A, Nady N, Duan S, Wasney GA, Li Z, Vedadi M, Schapira M, Min J, Arrowsmith CH.

J Biol Chem. 2011 Jan 7;286(1):521-9. doi: 10.1074/jbc.M110.191411. Epub 2010 Nov 3.


SimiCon: a web tool for protein-ligand model comparison through calculation of equivalent atomic contacts.

Rueda M, Katritch V, Raush E, Abagyan R.

Bioinformatics. 2010 Nov 1;26(21):2784-5. doi: 10.1093/bioinformatics/btq504. Epub 2010 Sep 24.


An introduction to biomolecular graphics.

Mura C, McCrimmon CM, Vertrees J, Sawaya MR.

PLoS Comput Biol. 2010 Aug 26;6(8). pii: e1000918. doi: 10.1371/journal.pcbi.1000918. No abstract available.


Unmet challenges of structural genomics.

Chruszcz M, Domagalski M, Osinski T, Wlodawer A, Minor W.

Curr Opin Struct Biol. 2010 Oct;20(5):587-97. doi: 10.1016/ Epub 2010 Aug 31. Review.


Structural genomics of histone tail recognition.

Wang M, Mok MW, Harper H, Lee WH, Min J, Knapp S, Oppermann U, Marsden B, Schapira M.

Bioinformatics. 2010 Oct 15;26(20):2629-30. doi: 10.1093/bioinformatics/btq491. Epub 2010 Aug 24.

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