Insights from modelling the 3D structure of the 2013 H7N9 influenza A virus neuraminidase and its binding interactions with drugs

An overview of the Amber biomolecular simulation package

(2012) Romelia Salomon-Ferrer et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Structural Consensus among Antibodies Defines the Antigen Binding Site

(2012) Vered Kunik et al.   PLoS Computational Biology

Neuraminidase inhibitor R-125489 – A promising drug for treating influenza virus: Steered molecular dynamics approach

(2011) Binh Khanh Mai et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors

(2011) Swapnil Chavan et al.   MOLECULAR DIVERSITY

Mechanism of 150-cavity formation in influenza neuraminidase

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

Prediction of zanamivir efficiency over the possible 2009 Influenza A (H1N1) mutants by multiple molecular dynamics simulations and free energy calculations

(2010) Dabo Pan et al.   JOURNAL OF MOLECULAR MODELING

Drug discovery against H1N1 virus (influenza A virus) via computational virtual screening approach

(2010) Ashwani Sharma et al.   MEDICINAL CHEMISTRY RESEARCH

In SilicoIdentification of the Potential Drug Resistance Sites over 2009 Influenza A (H1N1) Virus Neuraminidase

(2010) Huanxiang Liu et al.   MOLECULAR PHARMACEUTICS

Computational alanine scanning with linear scaling semiempirical quantum mechanical methods

(2010) David J. Diller et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

(2009) Yeng-Tseng Wang et al.   BIOPHYSICAL CHEMISTRY

Binding free energy calculations of N-sulphonyl-glutamic acid inhibitors of MurD ligase

(2009) Andrej Perdih et al.   JOURNAL OF MOLECULAR MODELING

Molecular Dynamics—Solvated Interaction Energy Studies of Protein–Protein Interactions: The MP1–p14 Scaffolding Complex

(2008) Qizhi Cui et al.   JOURNAL OF MOLECULAR BIOLOGY