Molecular Conformation - Page 2

Physicochemical and biopharmaceutical characterization ofendo-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2,3-dihydro-1H-benz[e]isoindol-1-one (CR3124) a novel potent 5-HT3 receptor antagonist

Water / Scanning Electron Microscopy / Powder Diffraction / NMR Spectroscopy / Crystallization / Macromolecular X-Ray Crystallography / Molecular Dynamics / Crystal structure / Humans / Liver / Differential scanning calorimetry / Permeability / Pharmaceutical Sciences / Animals / Male / Solubility / Citrus / Intestinal absorption / Caco-2 cells / Rats / X ray diffraction / Carbon Tetrachloride / Molecular Conformation / Flavones / Drug Stability / Crystalline Structure / Drug Induced Liver Injury / Serotonin antagonists / Aspartate Aminotransferases / Alanine Transaminase / Macromolecular X-Ray Crystallography / Molecular Dynamics / Crystal structure / Humans / Liver / Differential scanning calorimetry / Permeability / Pharmaceutical Sciences / Animals / Male / Solubility / Citrus / Intestinal absorption / Caco-2 cells / Rats / X ray diffraction / Carbon Tetrachloride / Molecular Conformation / Flavones / Drug Stability / Crystalline Structure / Drug Induced Liver Injury / Serotonin antagonists / Aspartate Aminotransferases / Alanine Transaminase

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UPLC-MS-ELSD-PDA as a Powerful Dereplication Tool to Facilitate Compound Identification from Small-Molecule Natural Product Libraries

Natural Products / Mass Spectrometry / Macromolecular X-Ray Crystallography / Biological Sciences / Arizona / CHEMICAL SCIENCES / Diterpenes / Molecular Conformation / Flavones / Hesperidin / Molecular Structure / Plant Leaves / CHEMICAL SCIENCES / Diterpenes / Molecular Conformation / Flavones / Hesperidin / Molecular Structure / Plant Leaves

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Design and exploratory data analysis of a second generation of dendrimer prodrugs potentially antichagasic and leishmanicide

Leishmania / Dendrimers / Prodrugs / Humans / Drug Design / Molecular Diversity / Chagas disease / Molecular Conformation / Structure activity Relationship / Molecular Structure / Molecular Diversity / Chagas disease / Molecular Conformation / Structure activity Relationship / Molecular Structure

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Enhanced Secondary Electron Emission from Group III Nitride/ZnO Coaxial Nanorod Heterostructures

Electrochemistry / Crystallization / Nanotechnology / Multidisciplinary / Zinc Oxide / Nanostructures / Nitrogen / Electrons / Particle Size / Surface Properties / Molecular Conformation / Small / Materials Testing / Secondary Electron Emission / Nanostructures / Nitrogen / Electrons / Particle Size / Surface Properties / Molecular Conformation / Small / Materials Testing / Secondary Electron Emission

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Design of amino acid sequences to fold into Cα-model proteins

Engineering / Physical Chemistry / Protein Folding / Chemical Physics / Macromolecular X-Ray Crystallography / Humans / Computer Simulation / Lattice Beam Model / Physical sciences / Random Matrix Theory / Proteins / CHEMICAL SCIENCES / Amino Acids / Protein Secondary Structure Prediction / Amino Acid Profile / Molecular Conformation / Protein Conformation / Amino Acid Sequence / Humans / Computer Simulation / Lattice Beam Model / Physical sciences / Random Matrix Theory / Proteins / CHEMICAL SCIENCES / Amino Acids / Protein Secondary Structure Prediction / Amino Acid Profile / Molecular Conformation / Protein Conformation / Amino Acid Sequence

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Core-like Particles of an Enveloped Animal Virus Can Self-Assemble Efficiently on Artificial Templates

Imaging / Self Assembly / Drug delivery / Crystallization / Nanoparticles / Nanotechnology / Multidisciplinary / Adsorption / Vesicles / Gold / Virus / Functional Imaging / P-glycoprotein / Nanostructures / Macromolecules / Proteins / Capsid / Encapsulation / Macromolecule / Particle Size / Biomimetic materials / Surface Properties / Molecular Conformation / Materials Testing / Protein Binding / Complex Structure / Biomedical Application / Nanotechnology / Multidisciplinary / Adsorption / Vesicles / Gold / Virus / Functional Imaging / P-glycoprotein / Nanostructures / Macromolecules / Proteins / Capsid / Encapsulation / Macromolecule / Particle Size / Biomimetic materials / Surface Properties / Molecular Conformation / Materials Testing / Protein Binding / Complex Structure / Biomedical Application

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Human immunodeficiency virus type 1 Vpr: oligomerization is an essential feature for its incorporation into virus particles

Microbiology / Medical Microbiology / Virology / Molecular modeling / HIV / Higher Order Thinking / Cell line / Humans / Sequence alignment / Human immunodeficiency virus / Amino Acid Profile / Molecular Conformation / Amino Acid Sequence / Virus infection / Intermolecular Interaction / Site-directed Mutagenesis / Higher Order Thinking / Cell line / Humans / Sequence alignment / Human immunodeficiency virus / Amino Acid Profile / Molecular Conformation / Amino Acid Sequence / Virus infection / Intermolecular Interaction / Site-directed Mutagenesis

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Transtaganolides A−D: Novel Metabolites from Thapsia t ranstagana

Medicinal Plants / Macromolecular X-Ray Crystallography / Echocardiography / Organic / Apiaceae / CHEMICAL SCIENCES / Molecular Conformation / Molecular Structure / CHEMICAL SCIENCES / Molecular Conformation / Molecular Structure

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Synthesis and biological evaluation of unprecedented classes of spiro-β-lactams and azido-β-lactams as acyl-CoA:cholesterol acyltransferase inhibitors

Organic Chemistry / Catalysis / Kinetics / Enzyme Inhibitors / Pharmaceutical Chemistry / Humans / Cholesterol / Drug Design / Absorption / Beta Lactams / Molecular Conformation / Bioorganic and medicinal Chemistry / Humans / Cholesterol / Drug Design / Absorption / Beta Lactams / Molecular Conformation / Bioorganic and medicinal Chemistry

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Structure of an acidic O-specific polysaccharide of Pseudoalteromonas haloplanktis type strain ATCC 14393 containing 2-acetamido-2-deoxy-d- and -l-galacturonic acids and 3-(N-acetyl-d-alanyl)amino-3,6-dideoxy-d-glucose

Organic Chemistry / Mass Spectrometry / NMR Spectroscopy / Polysaccharides / Magnetic Resonance Spectroscopy / Lipopolysaccharide / Carbon Isotopes / Threonine / Gas Chromatography / Marine Bacteria / Gel Permeation Chromatography / Glycosylation / Lipopolysaccharides / Amides / Lysine / Acetylation / Molecular Conformation / Acetic Acid / Disaccharides / Hydrolysis / Hydrogen-Ion Concentration / Carbohydrate / Acids / Proteus Mirabilis / Proteus Vulgaris / Biochemistry and cell biology / Molecular Structure / Sialic Acids / Shewanella / Serotyping / Providencia / Proteobacteria / Pseudoalteromonas / Lipopolysaccharide / Carbon Isotopes / Threonine / Gas Chromatography / Marine Bacteria / Gel Permeation Chromatography / Glycosylation / Lipopolysaccharides / Amides / Lysine / Acetylation / Molecular Conformation / Acetic Acid / Disaccharides / Hydrolysis / Hydrogen-Ion Concentration / Carbohydrate / Acids / Proteus Mirabilis / Proteus Vulgaris / Biochemistry and cell biology / Molecular Structure / Sialic Acids / Shewanella / Serotyping / Providencia / Proteobacteria / Pseudoalteromonas

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Principles of resonance energy transfer

Fluorescence Microscopy / Fluorescence Resonance Energy Transfer / Software / Fluorescence polarization / Molecular Conformation / Energy Transfer

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N-Aryl-gamma-lactams as integrin alphavbeta3 antagonists

Organic Chemistry / Humans / Animals / Molecular Conformation / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Structure activity Relationship / Ligands

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Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study

Thermodynamics / Computational Chemistry / Molecular Mechanics / Mathematical Computing / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Conformation / Glycine / Alanine / Molecular Conformation / Glycine / Alanine

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Principles of Resonance Energy Transfer

Fluorescence Microscopy / Fluorescence Resonance Energy Transfer / Software / Fluorescence polarization / Molecular Conformation / Energy Transfer

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Atom–bond pairwise additive representation for intermolecular potential energy surfaces

Thermodynamics / Technology / Kinetics / Quantum Theory / Chemical Physics / Complex System / Computer Simulation / Physical sciences / Methane / The / CHEMICAL SCIENCES / Hydrogen Bonding / Validation Studies / Binding Energy / Halogens / Reproducibility of Results / Benzene / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Conformation / Potential Energy Surface / Cations / Ab Initio Calculation / Force Field Analysis / Molecular Dynamic Simulation / Molecular Interactions / Perturbation Theory / Molecular Structure / Complex System / Computer Simulation / Physical sciences / Methane / The / CHEMICAL SCIENCES / Hydrogen Bonding / Validation Studies / Binding Energy / Halogens / Reproducibility of Results / Benzene / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Conformation / Potential Energy Surface / Cations / Ab Initio Calculation / Force Field Analysis / Molecular Dynamic Simulation / Molecular Interactions / Perturbation Theory / Molecular Structure

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Cantleyoside-dimethyl-acetal and Other Iridoid Glucosides from Pterocephalus perennis Ð Antimicrobial Activities

Mass Spectrometry / Magnetic Resonance Spectroscopy / Greece / Candida / Antimicrobial activity / Bacteria / Asteraceae / Anti-Bacterial Agents / Microbial Sensitivity Tests / Molecular Conformation / Glycosides / Bacteria / Asteraceae / Anti-Bacterial Agents / Microbial Sensitivity Tests / Molecular Conformation / Glycosides

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