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Journal: Journal of molecular modeling 20071201
Title: Vibrational relaxation in simulated two-dimensional infrared spectra of two amide modes in solution.
Journal: The Journal of chemical physics 20071121
Title: Chlorophylls, ligands and assembly of light-harvesting complexes in chloroplasts.
Journal: Photosynthesis research 20071101
Title: Spectroscopic properties of the nonplanar amide group: a computational study.
Journal: Chirality 20071101
Title: Estrogen receptor dependent inhibitors of NF-kappaB transcriptional activation-1 synthesis and biological evaluation of substituted 2-cyanopropanoic acid derivatives: pathway selective inhibitors of NF-kappaB, a potential treatment for rheumatoid arthritis.
Journal: Journal of medicinal chemistry 20071101
Title: Observation of immobilized water molecules around hydrophobic groups.
Journal: Physical review letters 20071005
Title: Effective oral delivery of insulin in animal models using vitamin B12-coated dextran nanoparticles.
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Title: The 2D IR responses of amide and carbonyl modes in water cannot be described by Gaussian frequency fluctuations.
Journal: The journal of physical chemistry. B 20070823
Title: Model of peptide bond-aromatic ring interaction: correlated ab initio quantum chemical study.
Journal: The journal of physical chemistry. B 20070823
Title: On the temperature dependence of amide I frequencies of peptides in solution.
Journal: The journal of physical chemistry. B 20070823
Title: The ultrafast dynamics of hydrogen-bonded liquids: molecular structure-dependent occurrence of normal arrhenius or fractional Stokes-Einstein-Debye rotational diffusive relaxation.
Journal: The journal of physical chemistry. B 20070816
Title: The role of a hydrogen bonding network in the transmembrane beta-barrel OMPLA.
Journal: Journal of molecular biology 20070727
Title: Quadrupole contribution to the third-order optical activity spectroscopy.
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Title: Hydrogen in N-methylacetamide: positions and dynamics of the hydrogen atoms using neutron scattering.
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Title: Acrylamide effects on kinesin-related proteins of the mitotic/meiotic spindle.
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Title: Vibrational averaging of chemical shift anisotropies in model peptides.
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Title: Full dimensional quantum calculations of vibrational energies of N-methyl acetamide.
Journal: The journal of physical chemistry. A 20070628
Title: Parameterization of peptide 13C carbonyl chemical shielding anisotropy in molecular dynamics simulations.
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Title: A novel thermostable nitrilase superfamily amidase from Geobacillus pallidus showing acyl transfer activity.
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Title: A new model for chemical shifts of amide hydrogens in proteins.
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Title: Transient two-dimensional IR spectrometer for probing nanosecond temperature-jump kinetics.
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Title: Synthetic N-pyridinyl(methyl)-indol-3-ylpropanamides as new potential immunosuppressive agents.
Journal: European journal of medicinal chemistry 20070501
Title: Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides.
Journal: Organic & biomolecular chemistry 20070421
Title: Synthesis and evaluation of N-3 substituted phenoxypropyl piperidine benzimidazol-2-one analogues as NOP receptor agonists with analgesic and sedative properties.
Journal: Bioorganic & medicinal chemistry 20070215
Title: Ab initio molecular dynamics of heme in cytochrome c.
Journal: The journal of physical chemistry. B 20070208
Title: Experimental determination of translational starts using peptide mass mapping and tandem mass spectrometry within the proteome of Mycobacterium tuberculosis.
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Title: Dimethylacetamide-induced hepatic injuries among spandex fibre workers.
Journal: Clinical toxicology (Philadelphia, Pa.) 20070101
Title: Evidence against a blood derived origin for transforming growth factor beta induced protein in corneal disorders caused by mutations in the TGFBI gene.
Journal: Molecular vision 20070101
Title: Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A.
Journal: PloS one 20070101
Title: Nitric oxide destabilizes Pias3 and regulates sumoylation.
Journal: PloS one 20070101
Title: Organosilicon-containing thiazole derivatives as potential lipoxygenase inhibitors and anti-inflammatory agents.
Journal: Bioinorganic chemistry and applications 20070101
Title: In vivo evaluation of the nitroimidazole-based thioflavin-T derivatives as cerebral ischemia markers.
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Title: Local order in fully deuterated liquid N-methylacetamide (C3D7NO) as studied by neutron diffraction and density-functional theory calculations.
Journal: The journal of physical chemistry. B 20061214
Title: Hepatocellular toxicity and pharmacological effect of amiodarone and amiodarone derivatives.
Journal: The Journal of pharmacology and experimental therapeutics 20061201
Title: Theoretical studies of the transition-state structures and free energy barriers for base-catalyzed hydrolysis of amides.
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Title: Correlated hydrogen bonding fluctuations and vibrational cross peaks in N-methyl acetamide: simulation based on a complete electrostatic density functional theory map.
Journal: The Journal of chemical physics 20061121
Title: Molecular modelling study of 2-phenylethynyladenosine (PEAdo) derivatives as highly selective A₃ adenosine receptor ligands.
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Title: Solution structure of the aqueous model peptide N-methylacetamide.
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Title: Incidence of dimethylacetamide induced hepatic injury among new employees in a cohort of elastane fibre workers.
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Title: A Kirkwood-Buff derived force field for amides.
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Title: Fluoroolefins as peptide mimetics: a computational study of structure, charge distribution, hydration, and hydrogen bonding.
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Title: The anharmonic vibrational potential and relaxation pathways of the amide I and II modes of N-methylacetamide.
Journal: The journal of physical chemistry. B 20060928
Title: Charge-transfer transitions in protein circular dichroism calculations.
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Title: A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
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Title: Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway.
Journal: The journal of physical chemistry. B 20060713
Title: Microenvironment control of methyl rotation induced by proton transfer.
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Title: Theoretical and experimental investigation of the energetics of cis-trans proline isomerization in peptide models.
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Title: Enthalpies of hydration of N-methylacetamide by one, two, and three waters and the effect upon the C=O stretching frequency. An Ab initio DFT study.
Journal: The journal of physical chemistry. A 20060504
Title: Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins.
Journal: The Journal of chemical physics 20060414
Title: Dynamic coupling between coordinates in a model for biomolecular isomerization.
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Title: Geometry and solvent dependence of the electronic spectra of the amide group and consequences for peptide circular dichroism.
Journal: The journal of physical chemistry. A 20060413
Title: Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics.
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Title: Structure and hydrogen bonding in neat N-methylacetamide: classical molecular dynamics and Raman spectroscopy studies of a liquid of peptidic fragments.
Journal: The journal of physical chemistry. B 20060302
Title: Pharmacokinetics and metabolism of a selective androgen receptor modulator in rats: implication of molecular properties and intensive metabolic profile to investigate ideal pharmacokinetic characteristics of a propanamide in preclinical study.
Journal: Drug metabolism and disposition: the biological fate of chemicals 20060301
Title: Simulation protocols for coherent femtosecond vibrational spectra of peptides.
Journal: The journal of physical chemistry. B 20060223
Title: Hydroxylated poly(N-isopropylacrylamide) as functional thermoresponsive materials.
Journal: Biomacromolecules 20060201
Title: A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy.
Journal: The Journal of chemical physics 20060128
Title: Identification of an unusual naturally occurring apolar fatty acid amide in mammalian brain and a method for its quantitative determination.
Journal: Rapid communications in mass spectrometry : RCM 20060101
Title: Mapping the antigenicity of the parasites in Leishmania donovani infection by proteome serology.
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Title: Solvent friction effect on intramolecular electron transfer.
Journal: Journal of the American Chemical Society 20051221
Title: Fabrication and characterization of DTBP-crosslinked chitosan scaffolds for skin tissue engineering.
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Title: Electrostatic DFT map for the complete vibrational amide band of NMA.
Journal: The journal of physical chemistry. A 20051103
Title: Application of Fourier transform infrared spectroscopy for monitoring hydrolysis and synthesis reactions catalyzed by a recombinant amidase.
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Title: Activity coefficients and thermodynamic parameters for RbCl/CsCl + amide (acetamide, propanamide, and n-butanamide) + water system at 298.15 K.
Journal: Biophysical chemistry 20051022
Title: Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine.
Journal: The journal of physical chemistry. B 20051013
Title: IR spectra of N-methylacetamide in water predicted by combined quantum mechanical/molecular mechanical molecular dynamics simulations.
Journal: The Journal of chemical physics 20051001
Title: FR177391, a new anti-hyperlipidemic agent from Serratia. I. Taxonomy, fermentation, isolation, physico-chemical properties, structure elucidation and biological activities.
Journal: The Journal of antibiotics 20051001
Title: Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
Journal: Journal of computational chemistry 20050901
Title: Synthesis of some 2(3H)-benzoxazolone derivatives and their in-vitro effects on human leukocyte myeloperoxidase activity.
Journal: Archiv der Pharmazie 20050901
Title: Comment on 'Strength of the N-H...O=C bonds in formamide and N-methylacetamide dimers'.
Journal: The journal of physical chemistry. A 20050811
Title: Amide I vibrational dynamics of N-methylacetamide in polar solvents: the role of electrostatic interactions.
Journal: The journal of physical chemistry. B 20050602
Title: How to model solvation of peptides? Insights from a quantum-mechanical and molecular dynamics study of N-methylacetamide. 1. Geometries, infrared, and ultraviolet spectra in water.
Journal: The journal of physical chemistry. B 20050519
Title: How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. 2. 15N and 17O nuclear shielding in water and in acetone.
Journal: The journal of physical chemistry. B 20050519
Title: Thermosensitive biodegradable polydepsipeptide.
Journal: Macromolecular bioscience 20050419
Title: Empirical solvent correction for multiple amide group vibrational modes.
Journal: The Journal of chemical physics 20050408
Title: [(S)-1-Carbamoylethyl]bis(dimethylglyoximato-kappa2N,N')[(S)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-kappa2N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)-1-phenylethylamine]cobalt(III) monohydrate.
Journal: Acta crystallographica. Section C, Crystal structure communications 20050401
Title: Understanding the energetics of helical peptide orientation in membranes.
Journal: Proteins 20050301
Title: Effect of temperature and concentration on the structure of N-methylacetamide-water complexes: Near-infrared spectroscopic study.
Journal: The journal of physical chemistry. A 20050217
Title: Toward a general mechanism of electron capture dissociation.
Journal: Journal of the American Society for Mass Spectrometry 20050201
Title: Electron correlation as the driving force for charge transfer: charge migration following ionization in N-methyl acetamide.
Journal: The journal of physical chemistry. A 20050127
Title: X-ray scattering and density-functional theory calculations to study the presence of hydrogen-bonded clusters in liquid N-methylacetamide.
Journal: The Journal of chemical physics 20050108
Title: Amide derivatives of 9,11-seco-estra-1,3,5(10)-trien-11-oic acid as modified orally active estrogen agonists with moderate antagonistic activity.
Journal: Bioorganic & medicinal chemistry letters 20050103
Title: A theoretical study of polarization effects on a model peptide bond.
Journal: The Journal of the American Osteopathic Association 20050101
Title: Photo-fenton assisted reaction of dimethoate in aqueous solutions.
Journal: Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20050101
Title: Acrylamide formation in different foods and potential strategies for reduction.
Journal: Advances in experimental medicine and biology 20050101
Title: New aspects on the formation and analysis of acrylamide.
Journal: Advances in experimental medicine and biology 20050101
Title: Effects of ramelteon (TAK-375) on nocturnal sleep in freely moving monkeys.
Journal: Brain research 20041119
Title: Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches.
Journal: The Journal of chemical physics 20041108
Title: New N-pyridinyl(methyl)-indolalkanamides acting as topical inflammation inhibitors.
Journal: Bioorganic & medicinal chemistry letters 20041101
Title: Asparagine and glutamine side-chain conformation in solution and crystal: a comparison for hen egg-white lysozyme using residual dipolar couplings.
Journal: Journal of biomolecular NMR 20041101
Title: On the influence of the water electrostatic field on the amide group vibrational frequencies.
Journal: The Journal of chemical physics 20041022
Title: A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.
Journal: Journal of the American Chemical Society 20041020
Title: Intermolecular association in liquid N-methylacetamide as studied by x-ray scattering.
Journal: The Journal of chemical physics 20041001
Title: Dissociative recombination cross section and branching ratios of protonated dimethyl disulfide and N-methylacetamide.
Journal: The Journal of chemical physics 20040922
Title: Evaluation of alternative cryoprotectants for preserving stallion spermatozoa.
Journal: Theriogenology 20040915
Title: Observation of dynamic solvent effect for electron tunneling in u-shaped molecules.
Journal: Journal of the American Chemical Society 20040901
Title: Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
Journal: Journal of computational chemistry 20040801
Title: Synthesis and anticonvulsant activity of some omega-(1H-imidazol-1-yl)-N-phenylacetamide and propionamide derivatives.
Journal: Farmaco (Societa chimica italiana : 1989) 20040801
Title: Purification and properties of an enantioselective and thermoactive amidase from the thermophilic actinomycete Pseudonocardia thermophila.
Journal: Applied microbiology and biotechnology 20040701
Title: Molecular modeling of dipeptide and its analogous systems with water.
Journal: Journal of molecular modeling 20040601
Title: Sterically and guest-controlled self-assembly of calix[4]arene derivatives.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20040503
Title: New radioiodinated carboxylic and hydroxamic matrix metalloproteinase inhibitor tracers as potential tumor imaging agents.
Journal: Nuclear medicine and biology 20040501
Title: Isomerization of a peptidic fragment studied theoretically in vacuum and in explicit water solvent at finite temperature.
Journal: Journal of the American Chemical Society 20040407
Title: Isopropyl amide derivatives of potent and selective muscarinic M2 receptor antagonists.
Journal: Bioorganic & medicinal chemistry letters 20040405
Title: Development of infrared electroabsorption spectroscopy and its application to molecular structural studies.
Journal: Applied spectroscopy 20040401
Title: Design and synthesis of 2-acetamidomethyl derivatives of isofagomine as potential inhibitors of human lysosomal beta-hexosaminidases.
Journal: Bioorganic & medicinal chemistry 20040301
Title: In vivo and in vitro effects of acrylamide on synaptosomal neurotransmitter uptake and release.
Journal: Neurotoxicology 20040301
Title: The synthesis and anticonvulsant activity of some omega-phthalimido-N-phenylacetamide and propionamide derivatives.
Journal: Archiv der Pharmazie 20040201
Title: Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: linear and nonlinear vibrational spectra.
Journal: The Journal of chemical physics 20040115
Title: Experimental validation of theoretical potassium and sodium cation affinities of amides by mass spectrometric kinetic method measurements.
Journal: Rapid communications in mass spectrometry : RCM 20040101
Title: One-bond 15N-13C' nuclear spin-spin coupling in N-methylacetamide: a model for hydrogen-bonded peptides.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20031215
Title: On the structural significance of the linkage region constituents of N-glycoproteins: an X-ray crystallographic investigation using models and analogs.
Journal: Biochemical and biophysical research communications 20031212
Title: Burkholderia genome analysis reveals new enzymes belonging to the nitrilase superfamily. The amidase of Burkholderia cepacia (hospital isolate).
Journal: International journal of biological macromolecules 20031201
Title: Adsorption of organic substances on broken clay surfaces: a quantum chemical study.
Journal: Journal of computational chemistry 20031130
Title: Electrostatic interaction of pi-acidic amides with hydrogen-bond acceptors.
Journal: Bioorganic & medicinal chemistry letters 20031006
Title: Biological monitoring of occupational exposure to N,N-dimethylacetamide with identification of a new metabolite.
Journal: Occupational and environmental medicine 20031001
Title: Calculation of dipole-shielding polarizabilities (sigma(alphabetagamma)I): the influence of uniform electric field effects on the shielding of backbone nuclei in proteins.
Journal: Journal of the American Chemical Society 20030813
Title: An ab initio study toward understanding the mechanistic photochemistry of acetamide.
Journal: Journal of the American Chemical Society 20030813
Title: New N-pyridinyl(methyl)-N1-substituted-3-indolepropanamides acting as topical and systemic anti-inflammatory agents.
Journal: Journal of enzyme inhibition and medicinal chemistry 20030401
Title: Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields.
Journal: Biopolymers 20030301
Title: Practical algorithm for reducing convex spike noises on a spectrum.
Journal: Applied spectroscopy 20030301
Title: Identification of novel muscarinic M(3) selective antagonists with a conformationally restricted Hyp-Pro spacer.
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Title: Vibrational characterization of the peptide bond.
Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030101
Title: Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations.
Journal: Journal of computational chemistry 20021201
Title: New N-pyridinyl(methyl)-indole-2- and 3-(alkyl)carboxamides and derivatives acting as systemic and topical inflammation inhibitors.
Journal: Journal of enzyme inhibition and medicinal chemistry 20021201
Title: N(6)-alkyl-2-alkynyl derivatives of adenosine as potent and selective agonists at the human adenosine A(3) receptor and a starting point for searching A(2B) ligands.
Journal: Journal of medicinal chemistry 20020718
Title: Study on hydration enthalpy of N-methylacetamide in water.
Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020701
Title: Equilibrium and kinetic analyses of the interactions between vitamin B(12) binding proteins and cobalamins by surface plasmon resonance.
Journal: Analytical biochemistry 20020601
Title: 'Entourage' effects of N-acyl ethanolamines at human vanilloid receptors. Comparison of effects upon anandamide-induced vanilloid receptor activation and upon anandamide metabolism.
Journal: British journal of pharmacology 20020601
Title: Solid-phase synthesis of alpha-substituted 3-bisarylthio N-hydroxy propionamides as specific MMP inhibitors.
Journal: Bioorganic & medicinal chemistry 20020301
Title: Synthesis and anticonvulsant activity of some omega-(1H-1-imidazolyl)-N-phenylalkanoic acid amide derivatives.
Journal: Farmaco (Societa chimica italiana : 1989) 20020301
Title: New findings on degradation of famotidine under basic conditions: identification of a hitherto unknown degradation product and the condition for obtaining the propionamide intermediate in pure form.
Journal: Journal of pharmaceutical sciences 20020101
Title: Experimental validation of Gaussian-3 lithium cation affinities of amides: implications for the gas-phase lithium cation basicity scale.
Journal: Rapid communications in mass spectrometry : RCM 20020101
Title: Absorption of dimethylacetamide (DMAC) following application of a polymer film to the skin of rabbits.
Journal: Applied occupational and environmental hygiene 20011201
Title: Synthesis of new tricyclic melatoninergic ligands.
Journal: Farmaco (Societa chimica italiana : 1989) 20010901
Title: Design, synthesis and biological evaluation of a novel series of potent, orally active adenosine A1 receptor antagonists with high blood-brain barrier permeability.
Journal: Chemical & pharmaceutical bulletin 20010801
Title: Synthesis and characterization of fluorescent cobalamin (CobalaFluor) derivatives for imaging.
Journal: Organic letters 20010322
Title: Synthesis and preliminary antimicrobial screening of new benzimidazole heterocycles.
Journal: Archives of pharmacal research 20010201
Title: Design of inhibitors of Ras--Raf interaction using a computational combinatorial algorithm.
Journal: Protein engineering 20010101
