Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings

References

Page 1

	Year	Citations
Density-functional thermochemistry. III. The role of exact exchange Axel D. Becke The Journal of Chemical Physics Electron DensityChemical ThermodynamicsEngineeringPhysicsNatural Sciences	1993	101.1K
Antioxidant activity applying an improved ABTS radical cation decolorization assay Roberta Re, Nicoletta Pellegrini, Anna R. Proteggente, Free Radical Biology and Medicine BiochemistryMedicineRadical (Chemistry)Antioxidant ActivityAnalytical Chemistry	1999	24.9K
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives Journal of the American Chemical Society Organic MoleculesEngineeringConformational EnergeticsPhysicsGas Phase	1996	15K
Diagnosis and Classification of Diabetes Mellitus Diabetes Care	2010	14K
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy, Advanced Drug Delivery Reviews Development SettingsPharmaceutical ScienceDrug TargetComputational ApproachesMedicine	1997	11K
Studies on products of browning reaction. Antioxidative activities of products of browning reaction prepared from glucosamine. Makoto Oyaizu The Japanese Journal of Nutrition and Dietetics Agricultural ChemistryAntioxidative ActivitiesBiochemistryTanninPhytochemical	1986	7.5K
Lead- and drug-like compounds: the rule-of-five revolution Christopher A. Lipinski Drug Discovery Today Technologies Medicinal ChemistryMedicineNatural SciencesLead IdentificationOrganic Chemistry	2004	5.8K
Diagnosis and Classification of Diabetes Mellitus Diabetes Care Clinical SymptomsMetabolic DisorderDiagnosisPathologyHormone Action.impairment	2009	5.4K
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin William L. Jorgensen, Julian Tirado‐Rives Journal of the American Chemical Society EngineeringPotential FunctionsProtein AssemblyAltmetric Attention ScorePeptide Science	1988	5K
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins Edward Harder, Wolfgang Damm, Jon R. Maple, Journal of Chemical Theory and Computation Drug TargetDrug TargetingDrug-like Small MoleculesBiochemistryProtein Folding	2015	3K

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