ChargeCalculator:Motivation: Difference between revisions
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Conformer generator | Conformer generator | ||
Molecular Mechanics simulations - explain FF compatibility | Molecular Mechanics simulations - explain FF compatibility | ||
'''Start by having a look at the main [[ChargeCalculator:Terminology | terms]] used by ACC, or return to the [[ChargeCalculator:UserManual | Table of contents]].''' | |||
Revision as of 06:54, 24 December 2014
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
Start by having a look at the main terms used by ACC, or return to the Table of contents.