Molecular Modeling Approaches to Investigate Essential Oils (Volatile Compounds) Interacting with Molecular Targets
Suraj N. Mali, Srushti Tambe, Amit P. Pratap, Jorddy Neves Cruz
Topics & Concepts
Molecular dynamicsMolecular modelMolecular descriptorQuantitative structure–activity relationshipComputational biologyChemistryComputer scienceBiological systemComputational chemistryNanotechnologyCombinatorial chemistryBiochemical engineeringMaterials scienceStereochemistryBiologyEngineeringComputational Drug Discovery MethodsPlant biochemistry and biosynthesisFree Radicals and Antioxidants