Molecular Mechanics - Page 3

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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Empirical free energy calculation: Comparison to calorimetric data

Thermodynamics / Physical Chemistry / Protein Folding / Protein Science / Molecular Mechanics / Complex System / van der Waals interaction / Protein folding/unfolding / Proteins / Van Der Waals / Free Energy / Evaluation Model / Heat Capacity / Surface Area / Calorimetry / Biochemistry and cell biology / Binding free energy / Complex System / van der Waals interaction / Protein folding/unfolding / Proteins / Van Der Waals / Free Energy / Evaluation Model / Heat Capacity / Surface Area / Calorimetry / Biochemistry and cell biology / Binding free energy

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Expression of UDP-N-acetyl-D-galactosamine: Polypeptide N-acetylgalactosaminyltransferase-6 in Gastric Mucosa, Intestinal Metaplasia, and Gastric Carcinoma

Histochemistry / Immunohistochemistry / Molecular Mechanics / Humans / Enzyme / Veins / Aged / Intestines / Middle Aged / Neoplasm Invasiveness / Adult / Gastric Carcinoma / Veins / Aged / Intestines / Middle Aged / Neoplasm Invasiveness / Adult / Gastric Carcinoma

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E-cadherin controls -catenin and NF- B transcriptional activity in mesenchymal gene expression

Cell Adhesion / Transcription Factors / Gene expression / Molecular Mechanics / Biological Sciences / Cell line / Humans / NF-kappa B / Beta-Catenin / Gene Expression Regulation / Cell line / Humans / NF-kappa B / Beta-Catenin / Gene Expression Regulation

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Temporal and spatial gene expression patterns after experimental stroke in a rat model and characterization of PC4, a potential regulator of transcription

Cognitive Science / Membrane Proteins / Transcription regulation of development / Preventive medicine / Molecular Mechanics / Antibodies / Tissue repair / Cell line / Brain / Animals / Ischemic Stroke / Transcription Factor / Rats / Cellular and Molecular Neuroscience / Rat Model / Rabbits / Nerve Growth Factor / Neurosciences / Gene Expression Regulation / Functional Properties / Antibodies / Tissue repair / Cell line / Brain / Animals / Ischemic Stroke / Transcription Factor / Rats / Cellular and Molecular Neuroscience / Rat Model / Rabbits / Nerve Growth Factor / Neurosciences / Gene Expression Regulation / Functional Properties

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Hydrogen peroxide-induced oxidative stress responses in Desulfovibrio vulgaris Hildenborough

Genetics / Microbiology / Environmental microbiology / Network Analysis / Oxidative Stress / DNA repair / Gene expression / Molecular Mechanics / Protein synthesis / Signal Transduction / Stress response / Detoxification / Sulfate reducing Bacteria / Hydrogen Peroxide / Cellular Automaton Model / Thioredoxin / Sulfate reduction / Proteome / Environmental / Sulphate Reducing Bacteria / Oxidants / Redox Potential / DNA repair / Gene expression / Molecular Mechanics / Protein synthesis / Signal Transduction / Stress response / Detoxification / Sulfate reducing Bacteria / Hydrogen Peroxide / Cellular Automaton Model / Thioredoxin / Sulfate reduction / Proteome / Environmental / Sulphate Reducing Bacteria / Oxidants / Redox Potential

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Hydrogen-peroxide-induced oxidative stress responses in Desulfovibrio vulgaris Hildenborough

Genetics / Microbiology / Environmental microbiology / Network Analysis / Oxidative Stress / DNA repair / Gene expression / Molecular Mechanics / Protein synthesis / Signal Transduction / Stress response / Detoxification / Sulfate reducing Bacteria / Hydrogen Peroxide / Cellular Automaton Model / Thioredoxin / Sulfate reduction / Proteome / Environmental / Sulphate Reducing Bacteria / Oxidants / Redox Potential / DNA repair / Gene expression / Molecular Mechanics / Protein synthesis / Signal Transduction / Stress response / Detoxification / Sulfate reducing Bacteria / Hydrogen Peroxide / Cellular Automaton Model / Thioredoxin / Sulfate reduction / Proteome / Environmental / Sulphate Reducing Bacteria / Oxidants / Redox Potential

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Optimal control design of laser pulses for mode specific vibrational excitation in an enzyme–substrate complex

Technology / Optimal Control / Quantum Mechanics / Molecular Mechanics / Optimal Control theory / Physical sciences / Enzyme / CHEMICAL SCIENCES / Excited states / Potential Energy / Physical sciences / Enzyme / CHEMICAL SCIENCES / Excited states / Potential Energy

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Hypercapnic Acidosis Attenuates Endotoxin-induced Acute Lung Injury

Nonparametric Statistics / Cell Adhesion / Transcription Factors / Probability / Molecular Mechanics / Signal Transduction / Lipopolysaccharide / Humans / Animals / Male / NF-kappa B / Acute respiratory distress syndrome / Vascular endothelium / Nitrogen / American / Acute Lung Injury / Neutrophils / Lipopolysaccharides / Rats / Endothelial cell / Analysis of Variance / Rat / Survival Rate / Mechanical Ventilation / Rat Model / Lactate dehydrogenase / Lung Injury / Blood gas analysis / Sensitivity and Specificity / Ischemia–reperfusion / Primary Prevention / Endotoxins / Hypercapnia / Respiratory distress / Pulmonary Gas Exchange / Interleukin / Down-Regulation / Tidal volume / Pulmonary Artery / Signal Transduction / Lipopolysaccharide / Humans / Animals / Male / NF-kappa B / Acute respiratory distress syndrome / Vascular endothelium / Nitrogen / American / Acute Lung Injury / Neutrophils / Lipopolysaccharides / Rats / Endothelial cell / Analysis of Variance / Rat / Survival Rate / Mechanical Ventilation / Rat Model / Lactate dehydrogenase / Lung Injury / Blood gas analysis / Sensitivity and Specificity / Ischemia–reperfusion / Primary Prevention / Endotoxins / Hypercapnia / Respiratory distress / Pulmonary Gas Exchange / Interleukin / Down-Regulation / Tidal volume / Pulmonary Artery

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How do bifidobacteria counteract environmental challenges? Mechanisms involved and physiological consequences

Molecular Mechanics / Water Activity / Biological activity / Carbon Source / Small Intestine

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Catechol-O-Methyltransferase Expression and 2-Methoxyestradiol Affect Microtubule Dynamics and Modify Steroid Receptor Signaling in Leiomyoma Cells

Apoptosis / Multidisciplinary / Molecular Mechanics / Signal Transduction / Estrogen Receptor / Humans / Female / Microtubules / PLoS one / Subcellular Localization / Tumor necrosis factor-alpha / Cell Proliferation / Estradiol / Leiomyoma / Estrogen receptor alpha / Humans / Female / Microtubules / PLoS one / Subcellular Localization / Tumor necrosis factor-alpha / Cell Proliferation / Estradiol / Leiomyoma / Estrogen receptor alpha

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Calreticulin Destabilizes Glucose Transporter1 mRNA in Vascular Endothelial and Smooth Muscle Cells Under High-Glucose Conditions

Molecular Mechanics / Cell Culture / Free Radical / Smooth muscle / Hyperglycemia / Endothelial Cells / Nitric oxide / Animals / Clinical Sciences / Cattle / Glucose Transport / mRna expression levels / Peripheral Vascular Disease / Protein Expression / Circulation / Vascular Endothelial Function / Nucleotides / Down-Regulation / Endothelial Cells / Nitric oxide / Animals / Clinical Sciences / Cattle / Glucose Transport / mRna expression levels / Peripheral Vascular Disease / Protein Expression / Circulation / Vascular Endothelial Function / Nucleotides / Down-Regulation

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Uracil DNA Glycosylase 2 negatively regulates HIV-1 LTR transcription

DNA repair / Molecular Mechanics / HIV / Biological Sciences / Cell line / Environmental Sciences / Humans / Nucleic Acids / Human immunodeficiency virus / Tumor necrosis factor-alpha / Retrovirology / Antiviral Activity / HIV Integrase / Phorbol ester / Base Excision Repair / Uracil Dna Glycosylase / Host Defense / Environmental Sciences / Humans / Nucleic Acids / Human immunodeficiency virus / Tumor necrosis factor-alpha / Retrovirology / Antiviral Activity / HIV Integrase / Phorbol ester / Base Excision Repair / Uracil Dna Glycosylase / Host Defense

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Immunoglobulin class-switch recombination deficiencies

Genetics / Immunology / DNA repair / Molecular Mechanics / Clinical immunology / Humans / Autoimmune diseases / Animals / Class switch recombination / Clinical Sciences / Spectrum / Public health systems and services research / Neoplasms / Genetic Recombination / Immunoglobulin / Somatic Hypermutation / Humans / Autoimmune diseases / Animals / Class switch recombination / Clinical Sciences / Spectrum / Public health systems and services research / Neoplasms / Genetic Recombination / Immunoglobulin / Somatic Hypermutation

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Cloning and expression pattern of peroxisomal β-oxidation genes palmitoyl-CoA oxidase, multifunctional protein and 3-ketoacyl-CoA thiolase in mussel Mytilus galloprovincialis and thicklip grey mullet Chelon labrosus

Genetics / Gene expression / Molecular Mechanics / Phylogeny / Sequence alignment / Animals / Oxidoreductases / Fishes / Mytilus / Gene / Enzyme / Molecular cloning / Marine Environment / Fatty Acid / Mytilus galloprovincialis / Amino Acid Sequence / Open Reading Frame / In Silico / Animals / Oxidoreductases / Fishes / Mytilus / Gene / Enzyme / Molecular cloning / Marine Environment / Fatty Acid / Mytilus galloprovincialis / Amino Acid Sequence / Open Reading Frame / In Silico

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Analysis of glucose-dependent insulinotropic peptide receptor (GIPR) and luteinizing hormone receptor (LHCGR) expression in human adrenocortical hyperplasia Análise da expressão dos receptores do peptídeo insulinotrópico dependente de glicose (GIPR) e do hormônio luteinizante (LHCGR) nas hiperpla...

Gene expression / Molecular Mechanics / real time PCR

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