Homology modeling, docking, and molecular dynamics reveal HR1039 as a potent inhibitor of 2009 A(H1N1) influenza neuraminidase.

PubWeight™: 0.93‹?›

🔗 View Article (PMID 20045243)

Published in Biophys Chem on December 06, 2009

Authors

Yeng-Tseng Wang1, Chen-Hsiung Chan, Zhi-Yuan Su, Cheng-Lung Chen

Author Affiliations

1: National Center for High-Performance Computing, Hsin-Shi, Tainan County, Taiwan. c00jsw00@nchc.org.tw

Articles by these authors

Improving disulfide connectivity prediction with sequential distance between oxidized cysteines. Bioinformatics (2005) 1.15

Influence of dentistry students' e-Learning satisfaction: a questionnaire survey. J Med Syst (2010) 0.98

Bilayer conformation of fusion peptide of influenza virus hemagglutinin: a molecular dynamics simulation study. Biophys J (2004) 0.96

From midbody protein-protein interaction network construction to novel regulators in cytokinesis. J Proteome Res (2009) 0.92

POINeT: protein interactome with sub-network analysis and hub prioritization. BMC Bioinformatics (2009) 0.92

Integrated minimum-set primers and unique probe design algorithms for differential detection on symptom-related pathogens. Bioinformatics (2005) 0.91

A computer simulation study of water drying at the interface of protein chains. J Chem Phys (2004) 0.87

Predictions of binding for dopamine D2 receptor antagonists by the SIE method. J Chem Inf Model (2009) 0.85

Cliques in mitotic spindle network bring kinetochore-associated complexes to form dependence pathway. Proteomics (2009) 0.83

Bioinformatics approaches for disulfide connectivity prediction. Curr Protein Pept Sci (2007) 0.82

Glycan arrays on aluminum-coated glass slides. Chem Asian J (2008) 0.81

Density functional theory calculations of dense TiO2 polymorphs: implication for visible-light-responsive photocatalysts. J Phys Chem B (2005) 0.80

Enhanced recognition of single-base mismatch using locked nucleic acid-integrated hairpin DNA probes revealed by atomic force microscopy nanolithography. Anal Chem (2010) 0.80

Potential of mean force of the hepatitis C virus core protein-monoclonal 19D9D6 antibody interaction. Biophys Chem (2009) 0.79

Potential of mean force for Syrian hamster prion epitope protein--monoclonal fab 3f4 antibody interaction studies. Eur J Med Chem (2008) 0.77

Applying non-synchronized e-learning to the nursing clinical ladder system. J Med Syst (2009) 0.77

Theoretical investigation on reaction of sulbactam with wild-type SHV-1 β-lactamase: acylation, tautomerization, and deacylation. J Phys Chem B (2011) 0.75

Computer simulation to investigate the FRET application in DNA hybridization systems. Phys Chem Chem Phys (2011) 0.75

Simulated annealing and density functional theoretical prediction of macrocyclic ligand conformations, protonation sites and complex metal-ligand exchange reaction directions. Dalton Trans (2013) 0.75

Construction of orthogonal synchronized bi-directional field to enhance heating efficiency of magnetic nanoparticles. Rev Sci Instrum (2012) 0.75

Why tazobactam and sulbactam have different intermediates population with SHV-1 β-lactamase: a molecular dynamics study. J Mol Model (2013) 0.75

Bilateral inferior accessory fissures in lungs. Am J Med Sci (2012) 0.75

Computer simulation of ionic and nonionic mixed surfactants in aqueous solution. Chemphyschem (2004) 0.75

Computer modeling on the tautomerization of sulbactam intermediate in SHV-1 β-lactamases: E166A mutant vs. wild type. J Mol Graph Model (2012) 0.75

Computer simulation of long side-chain substituted poly(phenylene vinylene) polymers. Chemphyschem (2004) 0.75

Computer simulation study on the structural-optical related properties of a pyrene-functionalized fluorescent film. Langmuir (2008) 0.75