Steered molecular dynamics- A promising tool for drug design

Current Bioinformatics

Volumn 7, Issue 4, 2012, Pages 342-351

  Li, Mai Suan ^a   Mai, Binh Khanh ^b  

^a INSTITUTE OF PHYSICS   (Poland)

^b INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

Author keywords

Binding free energy; Drug design; Influenza virus; Neuraminidase; Rupture force; Steered molecular dynamics

Indexed keywords

ATOMIC FORCE MICROSCOPY; BINDING ENERGY; FREE ENERGY; MOLECULAR DYNAMICS; VIRUSES;

BINDING AFFINITIES; BINDING FREE ENERGY; DISPLACEMENT PROFILES; DRUG DESIGN; INFLUENZA VIRUS; NEURAMINIDASE; RUPTURE FORCES; SCORE FUNCTION; STEERED MOLECULAR DYNAMICS; TIME DISPLACEMENTS;

LIGANDS;

AMANTADINE; LANINAMIVIR; LANINAMIVIR OCTANOATE; LIGAND; NSC 117079; NSC 141562; NSC 46080; NSC 5069; OSELTAMIVIR; PHOSPHONIC ACID DERIVATIVE; RIMANTADINE; SIALIC ACID; SIALIDASE INHIBITOR; UNCLASSIFIED DRUG; ZANAMIVIR;

ACCURACY; ATOMIC FORCE MICROSCOPY; BINDING AFFINITY; CORRELATIONAL STUDY; DRUG DESIGN; DRUG RECEPTOR BINDING; EXPERIMENTATION; HUMAN; INFLUENZA; INFLUENZA VIRUS; LIGAND BINDING; MOLECULAR DYNAMICS; NONHUMAN; POISSON DISTRIBUTION; PRIORITY JOURNAL; RECEPTOR BINDING; REVIEW; STEERED MOLECULAR DYNAMICS;

EID: 84874842514     PISSN: 15748936     EISSN: None     Source Type: Journal    
DOI: 10.2174/157489312803901009     Document Type: Review

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