The Influence of 150-Cavity Binders on the Dynamics of Influenza A Neuraminidases as Revealed by Molecular Dynamics Simulations and Combined Clustering

Synthesis of C-4-modified zanamivir analogs as neuraminidase inhibitors and their anti-AIV activities

(2012) Deju Ye et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Mutation-Induced Loop Opening and Energetics for Binding of Tamiflu to Influenza N8 Neuraminidase

(2012) Parimal Kar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mechanism of 150-cavity formation in influenza neuraminidase

(2011) Rommie E. Amaro et al.   Nature Communications

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

Analogs of zanamivir with modified C4-substituents as the inhibitors against the group-1 neuraminidases of influenza viruses

(2010) Wen-Hsien Wen et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Carbocycles Related to Oseltamivir as Influenza Virus Group-1-Specific Neuraminidase Inhibitors. Binding to N1 Enzymes in the Context of Virus-like Particles

(2010) Sankar Mohan et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

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

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

(2010) François-Yves Dupradeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase

(2010) Santosh Rudrawar et al.   Nature Communications

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1

(2009) Thanyada Rungrotmongkol et al.   ANTIVIRAL RESEARCH

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

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

Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1

(2009) Yan Li et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Design of Multi-Binding-Site Inhibitors, Ligand Efficiency, and Consensus Screening of Avian Influenza H5N1 Wild-Type Neuraminidase and of the Oseltamivir-Resistant H274Y Variant

(2008) Alfonso T. García-Sosa et al.   Journal of Chemical Information and Modeling

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

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

Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase

(2008) Lily S. Cheng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants

(2008) Patrick J. Collins et al.   NATURE