Molecular mechanics calculations on carbonyl compounds. III. Cycloketones.

Charles H. Langley Jenn-Huei Lii Norman L. Allinger

Published in: J. Comput. Chem. (2001)

Keyphrases

drug discovery
molecular structure
drug design
experimental data
three dimensional
molecular dynamics
virtual screening
knowledge base
computer vision
computational methods
quantum mechanics
interaction networks