Literature DB >> 17539643

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

Rommie E Amaro1, David D L Minh, Lily S Cheng, William M Lindstrom, Arthur J Olson, Jung-Hsin Lin, Wilfred W Li, J Andrew McCammon.   

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Year:  2007        PMID： 17539643     DOI： 10.1021/ja0723535

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  57 in total

1.  Modulation of catalytic function by differential plasticity of the active site: case study of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase.

Authors:  Ozlem Demir; Adrian E Roitberg
Journal:  Biochemistry       Date:  2009-04-21       Impact factor: 3.162

2.  Reduced susceptibility to all neuraminidase inhibitors of influenza H1N1 viruses with haemagglutinin mutations and mutations in non-conserved residues of the neuraminidase.

Authors:  Jennifer L McKimm-Breschkin; Janelle Williams; Susan Barrett; Kim Jachno; Mandy McDonald; Peter G Mohr; Takehiko Saito; Masato Tashiro
Journal:  J Antimicrob Chemother       Date:  2013-06-11       Impact factor: 5.790

3.  Mutation effects of neuraminidases and their docking with ligands: a molecular dynamics and free energy calculation study.

Authors:  Zhiwei Yang; Gang Yang; Lijun Zhou
Journal:  J Comput Aided Mol Des       Date:  2013-11-12       Impact factor: 3.686

4.  Implications of protein conformations to modifying novel inhibitor Oseltamivir for 2009 H1N1 influenza A virus by simulation and docking studies.

Authors:  Sudha Singh; Anvita Gupta Malhotra; Mohit Jha; Khushhali Menaria Pandey
Journal:  Virusdisease       Date:  2018-09-01

5.  Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations.

Authors:  Pek U Ieong; Jesper Sørensen; Prasantha L Vemu; Celia W Wong; Özlem Demir; Nadya P Williams; Jianwu Wang; Daniel Crawl; Robert V Swift; Robert D Malmstrom; Ilkay Altintas; Rommie E Amaro
Journal:  Procedia Comput Sci       Date:  2014

6.  Simulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complex.

Authors:  David S Cerutti; Isolde Le Trong; Ronald E Stenkamp; Terry P Lybrand
Journal:  Biochemistry       Date:  2008-10-25       Impact factor: 3.162

7.  Molecular modeling of swine influenza A/H1N1, Spanish H1N1, and avian H5N1 flu N1 neuraminidases bound to Tamiflu and Relenza.

Authors:  Ly Le; Eric Lee; Klaus Schulten; Thanh N Truong
Journal:  PLoS Curr       Date:  2009-08-27

8.  Role of secondary sialic acid binding sites in influenza N1 neuraminidase.

Authors:  Jeffrey C Sung; Adam W Van Wynsberghe; Rommie E Amaro; Wilfred W Li; J Andrew McCammon
Journal:  J Am Chem Soc       Date:  2010-03-10       Impact factor: 15.419

9.  Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases.

Authors:  Ly Le; Eric H Lee; David J Hardy; Thanh N Truong; Klaus Schulten
Journal:  PLoS Comput Biol       Date:  2010-09-23       Impact factor: 4.475

10.  Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy.

Authors:  Morgan Lawrenz; Jeff Wereszczynski; Rommie Amaro; Ross Walker; Adrian Roitberg; J Andrew McCammon
Journal:  Proteins       Date:  2010-08-15
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