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

Authors :: Jeyaram RA
Priyadarzini TRK
Anu Radha C
Siva Shanmugam NR
Ramakrishnan C
Gromiha MM
Veluraja K
Source :: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2019 Nov; Vol. 37 (18), pp. 4813-4824. Date of Electronic Publication: 2019 Feb 22.
Publication Year :: 2019
Abstract: 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.

Subjects :: Binding Sites
Hydrogen Bonding
Ligands
Molecular Docking Simulation
Molecular Dynamics Simulation
N-Acetylneuraminic Acid analogs & derivatives
Hemagglutinin Glycoproteins, Influenza Virus chemistry
Influenza A Virus, H5N1 Subtype chemistry
N-Acetylneuraminic Acid chemistry

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