Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes.
Charles H. LangleyJenn-Huei LiiNorman L. AllingerPublished in: J. Comput. Chem. (2001)
Keyphrases
- drug discovery
- molecular structure
- virtual screening
- chemical compounds
- rms error
- table of contents
- average error
- drug design
- quantum mechanics
- experimental data
- scientific data
- dna computing
- systems biology
- three dimensional
- cross section
- fluoroscopic images
- root mean square
- data sets
- surgical instruments
- clinical setting
- real time
- registration errors
- data mining tools
- early stage
- high throughput
- knowledge discovery
- information systems
- social networks
- data mining