Site Designed: By Daniel Burbridge, School of Chemistry, University Of Bristol
This was developed out of a need to describe molecular structure and properties in as practical a manner as possible.
Molecular mechanics has its benifits in being much faster than quantum mechanical solutions and therefore able to be applied to much larger molecules and procedures such as molecular dynamics, conformational energy searching, and docking, that require large numbers of energy evaluations.
Molecular mechanics methods are based on different principles to quantum mechanics.
