Importance of accurate charges in binding affinity calculations: A case of neuraminidase series

Bulletin of the Korean Chemical Society

Volumn 34, Issue 2, 2013, Pages 545-548

  Park, Kichul ^a   Sung, Nack Kyun ^a   Cho, Art E ^a  

^a Korea University   (South Korea)

Author keywords

Binding affinity; Docking; Glide; Neuraminidase; QPLD

Indexed keywords

ATOMIC CHARGE; BINDING AFFINITIES; CO-CRYSTALS; COCRYSTAL STRUCTURE; FORCE FIELDS; GLIDE; HYDROPHILIC RESIDUES; NEURAMINIDASE; NEURAMINIDASE INHIBITORS; QM/MM CALCULATIONS; QPLD; QUANTUM MECHANICAL LEVELS;

ATOMS; DOCKING; QUANTUM THEORY;

BINDING ENERGY;

EID: 84874508289     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2013.34.2.545     Document Type: Article

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