The inhibitory performance of flavonoid cyanidin-3-sambubiocide against H274Y mutation in H1N1 influenza virus

Computational studies of pandemic 1918 and 2009 H1N1 hemagglutinins bound to avian and human receptor analogs

(2015) S. Kannan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Substituent effects on the binding of natural product anthocyanidin inhibitors to influenza neuraminidase with mass spectrometry

(2014) Kavya Swaminathan et al.   ANALYTICA CHIMICA ACTA

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Binding of a natural anthocyanin inhibitor to influenza neuraminidase by mass spectrometry

(2013) Kavya Swaminathan et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Influenza virus resistance to neuraminidase inhibitors

(2013) Mélanie Samson et al.   ANTIVIRAL RESEARCH

Insight into the Oseltamivir Resistance R292K Mutation in H5N1 Influenza Virus: A Molecular Docking and Molecular Dynamics Approach

(2013) V. Karthick et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

Computational investigation of oseltamivir resistance in influenza A (H5N1) virus

(2013) V. Karthick et al.   MEDICINAL CHEMISTRY RESEARCH

In silico study on multidrug resistance conferred by I223R/H275Y double mutant neuraminidase

(2013) Hua Tan et al.   Molecular BioSystems

Influenza treatment and prophylaxis with neuraminidase inhibitors: a review

(2013) Mark Holodniy et al.   Infection and Drug Resistance

Exploring the Cause of Oseltamivir Resistance Against Mutant H274Y Neuraminidase by Molecular Simulation Approach

(2012) V. Karthick et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Long Time Scale GPU Dynamics Reveal the Mechanism of Drug Resistance of the Dual Mutant I223R/H275Y Neuraminidase from H1N1-2009 Influenza Virus

(2012) Christopher J. Woods et al.   BIOCHEMISTRY

Anti-Influenza Virus Effects of Elderberry Juice and Its Fractions

(2012) Emiko KINOSHITA et al.   BIOSCIENCE BIOTECHNOLOGY AND BIOCHEMISTRY

Influenza neuraminidase inhibitors: antiviral action and mechanisms of resistance

(2012) Jennifer L. McKimm-Breschkin   Influenza and Other Respiratory Viruses

Molecular Basis of Drug Resistance in A/H1N1 Virus

(2012) Ariela Vergara-Jaque et al.   Journal of Chemical Information and Modeling

Unusual Arginine Formations in Protein Function and Assembly: Rings, Strings, and Stacks

(2012) Marco A. C. Neves et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Inhibitory activity of a standardized elderberry liquid extract against clinically-relevant human respiratory bacterial pathogens and influenza A and B viruses

(2011) Christian Krawitz et al.   BMC Complementary and Alternative Medicine

Systematic review of influenza resistance to the neuraminidase inhibitors

(2011) Kristian Thorlund et al.   BMC INFECTIOUS DISEASES

Stacking and H-bonding patterns of dGpdC and dGpdCpdG: Performance of the M05-2X and M06-2X Minnesota density functionals for the single strand DNA

(2011) Jiande Gu et al.   CHEMICAL PHYSICS LETTERS

Emergence of intratreatment resistance to oseltamivir in pandemic influenza A H1N1 2009 virus

(2010) Laura E Valinotto et al.   ANTIVIRAL THERAPY

Three new powerful oseltamivir derivatives for inhibiting the neuraminidase of influenza virus

(2010) Shu-Qing Wang et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Assessing the Performance of Popular Quantum Mechanics and Molecular Mechanics Methods and Revealing the Sequence-Dependent Energetic Features Using 100 Tetrapeptide Models

(2010) Jinliang Jiang et al.   Journal of Chemical Theory and Computation

The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site

(2010) Qing Li et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Early emergence of an H275Y mutation in a hematopoietic cell transplant recipient treated with intravenous peramivir

(2010) C. Renaud et al.   Transplant Infectious Disease

Protection of Mice against Lethal Challenge with 2009 H1N1 Influenza A Virus by 1918-Like and Classical Swine H1N1 Based Vaccines

(2010) Balaji Manicassamy et al.   PLoS Pathogens

Computational design of novel, high-affinity neuraminidase inhibitors for H5N1 avian influenza virus

(2009) Jin Woo Park et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Theoretical study of the effect of ethynyl group on the structure and electrical properties of phenyl-thiadiazole systems as precursors of electron-conducting materials

(2009) José M. Granadino-Roldán et al.   JOURNAL OF CHEMICAL PHYSICS

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Novel Small-Molecule Inhibitor of the Avian Influenza H5N1 Virus Determined through Computational Screening against the Neuraminidase

(2009) Jianghong An et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure, Receptor Binding, and Antigenicity of Influenza Virus Hemagglutinins from the 1957 H2N2 Pandemic

(2009) R. Xu et al.   JOURNAL OF VIROLOGY

Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

(2008) Edward G. Hohenstein et al.   Journal of Chemical Theory and Computation

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Mutations of neuraminidase implicated in neuraminidase inhibitors resistance

(2007) Olivier Ferraris et al.   JOURNAL OF CLINICAL VIROLOGY