Amaro RE - Search Results

1

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

Amaro RE, Baron R, McCammon JA. Amaro RE, et al. J Comput Aided Mol Des. 2008 Sep;22(9):693-705. doi: 10.1007/s10822-007-9159-2. Epub 2008 Jan 15. J Comput Aided Mol Des. 2008. PMID: 18196463 Free PMC article.

2

Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design.

Amaro RE, Minh DD, Cheng LS, Lindstrom WM Jr, Olson AJ, Lin JH, Li WW, McCammon JA. Amaro RE, et al. J Am Chem Soc. 2007 Jun 27;129(25):7764-5. doi: 10.1021/ja0723535. Epub 2007 Jun 1. J Am Chem Soc. 2007. PMID: 17539643 No abstract available.

3

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.

4

Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.

Landon MR, Amaro RE, Baron R, Ngan CH, Ozonoff D, McCammon JA, Vajda S. Landon MR, et al. Among authors: amaro re. Chem Biol Drug Des. 2008 Feb;71(2):106-16. doi: 10.1111/j.1747-0285.2007.00614.x. Epub 2008 Jan 17. Chem Biol Drug Des. 2008. PMID: 18205727 Free PMC article.

5

Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase.

Cheng LS, Amaro RE, Xu D, Li WW, Arzberger PW, McCammon JA. Cheng LS, et al. Among authors: amaro re. J Med Chem. 2008 Jul 10;51(13):3878-94. doi: 10.1021/jm8001197. Epub 2008 Jun 18. J Med Chem. 2008. PMID: 18558668 Free PMC article.

6

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. Amaro RE, et al. Proc Natl Acad Sci U S A. 2008 Nov 11;105(45):17278-83. doi: 10.1073/pnas.0805820105. Epub 2008 Nov 3. Proc Natl Acad Sci U S A. 2008. PMID: 18981420 Free PMC article.

7

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.

8

AutoGrow: a novel algorithm for protein inhibitor design.

Durrant JD, Amaro RE, McCammon JA. Durrant JD, et al. Among authors: amaro re. Chem Biol Drug Des. 2009 Feb;73(2):168-78. doi: 10.1111/j.1747-0285.2008.00761.x. Chem Biol Drug Des. 2009. PMID: 19207419 Free PMC article.

9

Characterizing loop dynamics and ligand recognition in human- and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations.

Amaro RE, Cheng X, Ivanov I, Xu D, McCammon JA. Amaro RE, et al. J Am Chem Soc. 2009 Apr 8;131(13):4702-9. doi: 10.1021/ja8085643. J Am Chem Soc. 2009. PMID: 19296611 Free PMC article.

10

Distinct glycan topology for avian and human sialopentasaccharide receptor analogues upon binding different hemagglutinins: a molecular dynamics perspective.

Xu D, Newhouse EI, Amaro RE, Pao HC, Cheng LS, Markwick PR, McCammon JA, Li WW, Arzberger PW. Xu D, et al. Among authors: amaro re. J Mol Biol. 2009 Mar 27;387(2):465-91. doi: 10.1016/j.jmb.2009.01.040. Epub 2009 Feb 5. J Mol Biol. 2009. PMID: 19356594 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

228 results

Search Page

Filters