ChargeCalculator:Motivation
Understand and predict reactivity
Analyze charge transfer pathways
(difference between two states)
Quantitative Structure-Property Relationships modelling
QSPR for various properties - pharmacokinetics... pKa example?
Generating molecular conformations
Docking
Molecular Mechanics simulations
explain FF compatibility
Start by having a look at the main terms used by ACC, or return to the Table of contents.