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文献信息
The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.
Molecular DynamicsMolecular Dynamics SimulationDensity Functional TheoryMolecular DockingVirtual ScreeningMolecular ModelingDrug DesignMolecular GraphicsDrug DiscoveryBinding Free EnergyQuantitative Structure-Activity RelationshipPharmacophore ModelingBinding Free Energy CalculationsMD SimulationsPharmacophore ModelBinding AffinityMD SimulationQSAR ModelsBinding SiteMolecular Mechanics
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