The Infrared Spectra of 2-Pyridone···Ammonia and 2-Hydroxypiridine···Ammonia Hydrogen-Bonded Complexes Interpreted by DFT Calculations and AIM Charge DensitiesThe Calcium Ion and Conserved Water Molecules in Neuraminidases: Roles and Implications for Substrate BindingThe Mechanism of Phosphoryl Transfer Reaction and the Role of Active Site Residues on the Basis of Ribokinase-Like KinasesThe Interpretation of the Short Range Disorder in the Fluorene-TCNE Crystal StructureTheoretical Analysis of the Excited State Properties of Wybutine: A Natural Probe for Transfer RNA Dynamics

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The Infrared Spectra of 2-Pyridone···Ammonia and 2-Hydroxypiridine···Ammonia Hydrogen-Bonded Complexes Interpreted by DFT Calculations and AIM Charge Densities
The optimized geometries and infrared spectra of the 2-pyridone···ammonia a
The Calcium Ion and Conserved Water Molecules in Neuraminidases: Roles and Implications for Substrate Binding
Neuraminidases are essential to the replication of influenza virus by catalyzing the cleavage of
The Mechanism of Phosphoryl Transfer Reaction and the Role of Active Site Residues on the Basis of Ribokinase-Like KinasesThe role of ribokinase-like carbohydrate kinases consists in ATP dependent phosphorylation of small
The Interpretation of the Short Range Disorder in the Fluorene-TCNE Crystal StructureThe interpretation of the short-range static and/or dynamic disorder in a crystal structure from X-r
Theoretical Analysis of the Excited State Properties of Wybutine: A Natural Probe for Transfer RNA DynamicsWe have theoretically characterized the ground state and the excited state properties of wybutine, a
Tetra-tert-Butyl-di-m-Hydroxo Digallium(III) and 1,12-Diaza-3,4:9,10-Dibenzo-5,8-Dioxo-cyclo-Pentadecane. Structure and Isomers of the Coordination CompoundTri-t-butylgallium has been reacted with the macrocycle 1,12-diaza-3,4:9,10-dibenzo-5,8-dioxocyclope
Thermodynamics of Water-octanol and Water-cyclohexane Partitioning of some Aromatic CompoundsThe Gibbs free energy, enthalpy and entropy of partitioning of 45 simple aromatic compounds (phenols
The Quantitative Structure-Mutagenicity Relationship of Polycylic Aromatic Hydrocarbon MetabolitesQuantitative structure-activity relationships (QSARs) for benz[a]anthracene (BA)mutagens using 73 de
Triazoloquinazolines as Human A3 Adenosine Receptor Antagonists: A QSAR StudyMultiple linear regression analysis was performed on the quantitative structure-activity relationshi
The Electronic Structure of the Nitrogen Atoms of Allyl (5- pyridin-2-yl-[1,3,4]-thiadiazol-2-yl)-amineThe resonance structures of allyl-(5-pyridin-2-yl-[1,3,4]-thiadiazol-2-yl)-aminehave been determined
The Principle of Substance Stability Is Applicable to All Levels of Organization of Living MatterThe principle of substance stability – the feedback principle – is applicable to allbiological syste
Theoretical Study of the Diastereofacial Isomers of Aldrin and DieldrinThe Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene givesaldrin but theoretical
The Interaction of Sheep Genomic DNA with a Cobalt(II) Complex Containing p-Nitrobenzoate and N,N`-Diethylnicotinamide LigandsThe synthesized cobalt(II) complex, CoPNBDENA and the binding of thiscomplex with sheep genomic DNA
The Signaling Cascades of Ginkgolide B-Induced Apoptosis in MCF-7 Breast Cancer CellsGinkgolide B, the major active component of Ginkgo biloba extracts, can bothstimulate and inhibit ap
The Molecular Structure and Vibrational Spectrum of 6-bromo-8-thia-1,4-epoxybicyclo[4.3.0]non-2-eneGeometric parameters and FT-IR spectrum of 6-bromo-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene were comp
Threading Cyclodextrins in Chloroform: A [2]PseudorotaxaneThe unusual self-assembly in chloroform of a novel cyclodextrin-based [2]pseudorotaxane, composed of
Three Dimensional Pharmacophore Modelling of Monoamine oxidase-A (MAO-A) inhibitorsFlavoprotein monoamine oxidase is located on the outer membrane ofmitochondria. It catalyzes oxidati
The Preparation and Characterization of Poly(m-phenylene- isophthalamide) Fibers Using Ionic LiquidsA process to produce fibers from Poly(m-phenyleneisophthalamide)(PMIA)solution in an ionic liquid vi
The SPASIBA Force Field for Studying Iron-Tannins Interactions : Application to Fe3+ /Fe2+ Catechol ComplexeThe SPASIBA force field parameters have been obtained for Fe³⁺ /Fe²⁺ -Oxygenin
Tobacco OPBP1 Enhances Salt Tolerance and Disease Resistance of Transgenic RiceOsmotin promoter binding protein 1 (OPBP1), an AP2/ERF transcription factor of tobacco, has been dem

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