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Items: 11


Three-dimensional structure model and predicted ATP interaction rewiring of a deviant RNA ligase 2.

Moreira S, Noutahi E, Lamoureux G, Burger G.

BMC Struct Biol. 2015 Oct 9;15:20. doi: 10.1186/s12900-015-0046-0.


Mutational analysis of Trypanosoma brucei RNA editing ligase reveals regions critical for interaction with KREPA2.

Mehta V, Sen R, Moshiri H, Salavati R.

PLoS One. 2015 Mar 19;10(3):e0120844. doi: 10.1371/journal.pone.0120844. eCollection 2015.


Discovery of novel inhibitors for Nek6 protein through homology model assisted structure based virtual screening and molecular docking approaches.

Srinivasan P, Chella Perumal P, Sudha A.

ScientificWorldJournal. 2014 Jan 22;2014:967873. doi: 10.1155/2014/967873. eCollection 2014.


AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design.

Durrant JD, Lindert S, McCammon JA.

J Mol Graph Model. 2013 Jul;44:104-12. doi: 10.1016/j.jmgm.2013.05.006. Epub 2013 May 23.


Towards the development of novel Trypanosoma brucei RNA editing ligase 1 inhibitors.

Durrant JD, McCammon JA.

BMC Pharmacol. 2011 Aug 30;11:9. doi: 10.1186/1471-2210-11-9.


Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1.

Durrant JD, Hall L, Swift RV, Landon M, Schnaufer A, Amaro RE.

PLoS Negl Trop Dis. 2010 Aug 24;4(8):e803. doi: 10.1371/journal.pntd.0000803.


Discovery and design of DNA and RNA ligase inhibitors in infectious microorganisms.

Swift RV, Amaro RE.

Expert Opin Drug Discov. 2009 Dec 1;4(12):1281-1294.


Emerging methods for ensemble-based virtual screening.

Amaro RE, Li WW.

Curr Top Med Chem. 2010;10(1):3-13. Review.


Toward understanding the conformational dynamics of RNA ligation.

Swift RV, Durrant J, Amaro RE, McCammon JA.

Biochemistry. 2009 Feb 3;48(4):709-19. doi: 10.1021/bi8018114.


Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei.

Amaro RE, Schnaufer A, Interthal H, Hol W, Stuart KD, McCammon JA.

Proc Natl Acad Sci U S A. 2008 Nov 11;105(45):17278-83. doi: 10.1073/pnas.0805820105. Epub 2008 Nov 3.


An improved relaxed complex scheme for receptor flexibility in computer-aided drug design.

Amaro RE, Baron R, McCammon JA.

J Comput Aided Mol Des. 2008 Sep;22(9):693-705. doi: 10.1007/s10822-007-9159-2. Epub 2008 Jan 15.

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