Investigation on the isoform selectivity of novel kinesin-like protein 1 (KIF11) inhibitor using chemical feature based pharmacophore, molecular docking, and quantum mechanical studies.
Subramanian KarunagaranSubramaniyan SubhashchandraboseKeun Woo LeeChandrasekaran MeganathanPublished in: Comput. Biol. Chem. (2016)
Keyphrases
- drug discovery
- virtual screening
- hiv protease
- chemical compounds
- drug design
- binding sites
- coarse grained
- protein protein interactions
- early stage
- subcellular localization
- mass spectrometry
- data mining
- quantum mechanics
- chemical reactions
- literature review
- fine grained
- preliminary investigation
- discovery process
- molecular dynamics
- chemical reaction
- systems biology
- biological systems
- scientific data
- image features
- quantum computation
- similarity searching
- sequence analysis
- data mining tools
- protein sequences
- three dimensional