Molecular electrostatic potentials as input for the alignment of HIV-1 integrase inhibitors in 3D QSAR.
Mahindra T. MakhijaVithal M. KulkarniPublished in: J. Comput. Aided Mol. Des. (2001)
Keyphrases
- drug discovery
- human immunodeficiency virus
- drug design
- drug resistance
- virtual screening
- higher order
- systems biology
- data mining
- early stage
- high order
- complex systems
- input data
- data sets
- network topology
- scientific data
- biological systems
- potential functions
- input parameters
- user input
- pairwise
- hiv protease
- three dimensional