Structure elucidation of small organic molecules by contemporary computational chemistry methods
Chung Sub Kim, Joonseok Oh, Tae Hyun Lee
Topics & Concepts
Biochemical engineeringIn silicoChemistrySmall moleculeMolecular mechanicsDrug discoveryMoleculeNatural (archaeology)Organic moleculesStatistical mechanicsNanotechnologyChemical spaceComputational chemistryComputer scienceComputational biologyMolecular dynamicsStatistical physicsMaterials scienceOrganic chemistryBiologyPhysicsEngineeringGeneBiochemistryPaleontologyMolecular spectroscopy and chiralityAnalytical Chemistry and ChromatographyComputational Drug Discovery Methods