Molecular dynamics simulation studies on influenza A virus H5N1 complexed with sialic acid and fluorinated sialic acid.

Abbreviations HA Hemagglutinin MD Molecular Dynamics MM-PBSA Molecular Mechanics Poisson-Boltzmann Surface Area NA Neuraminidase NAMD Nanoscale Molecular Dynamic Simulation PMEMD Particle Mesh Ewald Molecular Dynamics RMSD Root-Mean-Square Deviation RMSF Root-Mean-Square Fluctuation SIA sialic acid VMD Visual Molecular Dynamics Communicated by Ramaswamy H. Sarma.