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文献信息
The Journal of Computer-Aided Molecular Design provides a forum for disseminating information on both the theory and the application of computer-based methods in the analysis and design of molecules.
Drug DesignVirtual ScreeningDrug DiscoveryMolecular DynamicsMolecular DockingMolecular ModelingScoring FunctionMolecular Dynamics SimulationMolecular MechanicsMolecular SimilarityScoring FunctionsBinding Free EnergiesQuantitative Structure-Activity RelationshipBinding AffinityBinding Free EnergyFree Energy CalculationsAutomated DockingComparative Molecular Field AnalysisMolecular DesignAffinity Prediction
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Bozkir, IsaIbisoglu, Merve SedaBozkir, Ilknur KayikciogluGuler, Halil Ibrahim