Amaro RE - Search Results

1

Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis.

Torres R, Swift RV, Chim N, Wheatley N, Lan B, Atwood BR, Pujol C, Sankaran B, Bliska JB, Amaro RE, Goulding CW. Torres R, et al. Among authors: amaro re. PLoS One. 2011;6(9):e25084. doi: 10.1371/journal.pone.0025084. Epub 2011 Sep 26. PLoS One. 2011. PMID: 21966419 Free PMC article.

2

Functional and structural insights revealed by molecular dynamics simulations of an essential RNA editing ligase in Trypanosoma brucei.

Amaro RE, Swift RV, McCammon JA. Amaro RE, et al. PLoS Negl Trop Dis. 2007 Nov 14;1(2):e68. doi: 10.1371/journal.pntd.0000068. PLoS Negl Trop Dis. 2007. PMID: 18060084 Free PMC article.

3

Toward understanding the conformational dynamics of RNA ligation.

Swift RV, Durrant J, Amaro RE, McCammon JA. Swift RV, et al. Among authors: amaro re. Biochemistry. 2009 Feb 3;48(4):709-19. doi: 10.1021/bi8018114. Biochemistry. 2009. PMID: 19133737 Free PMC article.

4

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

Swift RV, Amaro RE. Swift RV, et al. Among authors: amaro re. Expert Opin Drug Discov. 2009 Dec 1;4(12):1281-1294. doi: 10.1517/17460440903373617. Expert Opin Drug Discov. 2009. PMID: 20354588 Free PMC article.

5

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

Durrant JD, Hall L, Swift RV, Landon M, Schnaufer A, Amaro RE. Durrant JD, et al. Among authors: amaro re. PLoS Negl Trop Dis. 2010 Aug 24;4(8):e803. doi: 10.1371/journal.pntd.0000803. PLoS Negl Trop Dis. 2010. PMID: 20808768 Free PMC article.

6

Mechanism of 150-cavity formation in influenza neuraminidase.

Amaro RE, Swift RV, Votapka L, Li WW, Walker RC, Bush RM. Amaro RE, et al. Nat Commun. 2011 Jul 12;2:388. doi: 10.1038/ncomms1390. Nat Commun. 2011. PMID: 21750542 Free PMC article.

7

Modeling the pharmacodynamics of passive membrane permeability.

Swift RV, Amaro RE. Swift RV, et al. Among authors: amaro re. J Comput Aided Mol Des. 2011 Nov;25(11):1007-17. doi: 10.1007/s10822-011-9480-7. Epub 2011 Nov 1. J Comput Aided Mol Des. 2011. PMID: 22042376 Free PMC article.

8

Variable ligand- and receptor-binding hot spots in key strains of influenza neuraminidase.

Votapka L, Demir O, Swift RV, Walker RC, Amaro RE. Votapka L, et al. Among authors: amaro re. J Mol Genet Med. 2012;6:293-300. doi: 10.4172/1747-0862.1000052. Epub 2012 May 25. J Mol Genet Med. 2012. PMID: 22872804 Free PMC article.

9

Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?

Swift RV, Amaro RE. Swift RV, et al. Among authors: amaro re. Chem Biol Drug Des. 2013 Jan;81(1):61-71. doi: 10.1111/cbdd.12074. Chem Biol Drug Des. 2013. PMID: 23066853 Free PMC article. Review.

10

Rational prediction with molecular dynamics for hit identification.

Nichols SE, Swift RV, Amaro RE. Nichols SE, et al. Among authors: amaro re. Curr Top Med Chem. 2012;12(18):2002-12. doi: 10.2174/156802612804910313. Curr Top Med Chem. 2012. PMID: 23110535 Free PMC article. Review.

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