Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase

Influenza A Virus Cell Entry, Replication, Virion Assembly and Movement

(2018) Dan Dou et al.   Frontiers in Immunology

Neuraminidase Inhibitors in Influenza Treatment and Prevention–Is It Time to Call It a Day?

(2018) César Parra-Rojas et al.   Viruses-Basel

Computational screening of fatty acid synthase inhibitors against thioesterase domain

(2017) Wanwisa Panman et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In silico prediction of drug resistance due to S247R mutation of Influenza H1N1 neuraminidase protein

(2017) Rahul Shubhra Mandal et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular dynamics and MM/GBSA-integrated protocol probing the correlation between biological activities and binding free energies of HIV-1 TAR RNA inhibitors

(2017) Saikiran Reddy Peddi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Screening for Neuraminidase Inhibitor Resistance Markers among Avian Influenza Viruses of the N4, N5, N6, and N8 Neuraminidase Subtypes

(2017) Won-Suk Choi et al.   JOURNAL OF VIROLOGY

The in vivo efficacy of neuraminidase inhibitors cannot be determined from the decay rates of influenza viral titers observed in treated patients

(2017) John Palmer et al.   Scientific Reports

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

(2016) Jiraphorn Phanich et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Resistance to Mutant Group 2 Influenza Virus Neuraminidases of an Oseltamivir-Zanamivir Hybrid Inhibitor

(2016) Yan Wu et al.   JOURNAL OF VIROLOGY

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Grid-Based Backbone Correction to the ff12SB Protein Force Field for Implicit-Solvent Simulations

(2015) Alberto Perez et al.   Journal of Chemical Theory and Computation

E119D Neuraminidase Mutation Conferring Pan-Resistance to Neuraminidase Inhibitors in an A(H1N1)pdm09 Isolate From a Stem-Cell Transplant Recipient

(2015) Arnaud G. L'Huillier et al.   JOURNAL OF INFECTIOUS DISEASES

Structural insight of DNA topoisomerases I from camptothecin-producing plants revealed by molecular dynamics simulations

(2015) Supaart Sirikantaramas et al.   PHYTOCHEMISTRY

A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidase

(2015) Jiraphorn Phanich et al.   PROTEIN SCIENCE

Tulane virus recognizes sialic acids as cellular receptors

(2015) Ming Tan et al.   Scientific Reports

New small-molecule drug design strategies for fighting resistant influenza A

(2015) Zuyuan Shen et al.   Acta Pharmaceutica Sinica B

A Review of Methods Available to Estimate Solvent-Accessible Surface Areas of Soluble Proteins in the Folded and Unfolded States

(2014) Syed Ali et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Profiling and Characterization of Influenza Virus N1 Strains Potentially Resistant to Multiple Neuraminidase Inhibitors

(2014) Yun Hee Baek et al.   JOURNAL OF VIROLOGY

Influenza virus resistance to neuraminidase inhibitors

(2013) Mélanie Samson et al.   ANTIVIRAL RESEARCH

Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses

(2013) Yan Wu et al.   CELL RESEARCH

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Native contacts determine protein folding mechanisms in atomistic simulations

(2013) R. B. Best et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding

(2013) Yan Wu et al.   Scientific Reports

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

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

Placevent: An algorithm for prediction of explicit solvent atom distribution-Application to HIV-1 protease and F-ATP synthase

(2012) Daniel J. Sindhikara et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis

(2012) Erhard van der Vries et al.   PLoS Pathogens

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Structural and Functional Analysis of Laninamivir and its Octanoate Prodrug Reveals Group Specific Mechanisms for Influenza NA Inhibition

(2011) Christopher J. Vavricka et al.   PLoS Pathogens

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Oseltamivir-Resistant Pandemic A/H1N1 Virus Is as Virulent as Its Wild-Type Counterpart in Mice and Ferrets

(2010) Marie-Ève Hamelin et al.   PLoS Pathogens

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach

(2009) Thanyada Rungrotmongkol et al.   AMINO ACIDS

Search for novel neuraminidase inhibitors: Design, synthesis and interaction of oseltamivir derivatives with model membrane using docking, NMR and DSC methods

(2009) Charlotte D'Souza et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

(2009) Thanyada Rungrotmongkol et al.   BIOPHYSICAL CHEMISTRY

Dynamic Behavior of Avian Influenza A Virus Neuraminidase Subtype H5N1 in Complex with Oseltamivir, Zanamivir, Peramivir, and Their Phosphonate Analogues

(2009) Thanyarat Udommaneethanakit et al.   Journal of Chemical Information and Modeling

Influenza Virus

(2009)   TRANSFUSION MEDICINE AND HEMOTHERAPY