Jump to content

ChargeCalculator:Motivation

From WebChemistry Wiki
Revision as of 06:53, 24 December 2014 by Crina (talk | contribs)

Understand and predict reactivity Analyze charge transfer pathways (difference between two states) QSPR for various properties - pharmacokinetics... pKa example? Docking Conformer generator Molecular Mechanics simulations - explain FF compatibility