Molecular Conformation Concept

subject area of

• Thermobifida fusca cellulases exhibit limited surface diffusion on bacterial micro‐crystalline cellulose  Journal Articles
• fac‐[TcO₃(tacn)]⁺: A Versatile Precursor for the Labelling of Pharmacophores, Amino Acids and Carbohydrates through a New Ligand‐Centred Labelling Strategy  Journal Articles
• A Tool Set to Map Allosteric Networks through the NMR Chemical Shift Covariance Analysis  Journal Articles
• A structure refinement strategy for NMR crystallography: An improved crystal structure of silica-ZSM-12 zeolite from 29Si chemical shift tensors  Journal Articles
• Acid-induced fusion of liposomes: studies with 2,3-seco-5α-cholestan-2,3-dioic acid  Journal Articles
• Adenosine Monophosphate Forms Ordered Arrays in Multilamellar Lipid Matrices: Insights into Assembly of Nucleic Acid for Primitive Life  Journal Articles
• Allosteric Mechanisms of Nonadditive Substituent Contributions to Protein-Ligand Binding  Journal Articles
• Antibody-Mediated Resolution of Light Chain-Associated Amyloid Deposits  Journal Articles
• Aqueous Fluoride and the Preparation of [^99mTc(CO)₃(OH₂)₃]⁺ and ^99mTc−Carborane Complexes  Journal Articles
• Atomic force microscopy study of thick lamellar stacks of phospholipid bilayers  Journal Articles
• Bioactivity of the cannabigerol cannabinoid and its analogues – the role of 3-dimensional conformation  Journal Articles
• Biologically Inspired Highly Durable Iron Phthalocyanine Catalysts for Oxygen Reduction Reaction in Polymer Electrolyte Membrane Fuel Cells  Journal Articles
• Bisphenol A Electrochemical Sensor Using Graphene Oxide and β-Cyclodextrin-Functionalized Multi-Walled Carbon Nanotubes  Journal Articles
• Carboranes as Ligands for the Preparation of Organometallic Tc and Re Radiopharmaceuticals. Synthesis of [M(CO)₃(η⁵-2,3-C₂B₉H₁₁)]^- and rac-[M(CO)₃(η⁵-2-R-2,3-C₂B₉H₁₀)]^- (M = Re, ⁹⁹Tc; R = CH₂CH₂CO₂H) from [M(CO)₃Br₃]^2-  Journal Articles
• Catalytic promiscuity of glycopeptide N-methyltransferases enables bio-orthogonal labelling of biosynthetic intermediates  Journal Articles
• Chain Conformation of a New Class of PEG-Based Thermoresponsive Polymer Brushes Grafted on Silicon as Determined by Neutron Reflectometry  Journal Articles
• Characterization of structure and mechanism of transfection-active peptide–DNA complexes  Journal Articles
• Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH₂by RHF, DFT, and MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data  Journal Articles
• Collective Dynamics of Lipid Membranes Studied by Inelastic Neutron Scattering  Journal Articles
• Comparison of lowest energy conformations of dimethylcurine and methoxyverapamil: Evidence of ternary association of calcium channel, Ca2+, and calcium entry blockers  Journal Articles
• Conformation of a tethered polymer in a leaky nanocavity  Journal Articles
• Conformation transitions of a polyelectrolyte chain: A replica-exchange Monte-Carlo study  Journal Articles
• Conformational Analysis of Free and Ca²⁺-bound forms of Verapamil and Methoxyverapamil  Journal Articles
• Conformations of bound nucleoside triphosphate effectors in aspartate transcarbamylase. Evidence for the London-Schmidt model by transferred nuclear Overhauser effects  Journal Articles
• Controlling the Morphology of Organic Crystals with Filamentous Bacteriophages  Journal Articles
• Critical swelling in single phospholipid bilayers  Journal Articles
• Crystallization Force—A Density Functional Theory Concept for Revealing Intermolecular Interactions and Molecular Packing in Organic Crystals  Journal Articles
• Dependence of InGaP nanowire morphology and structure on molecular beam epitaxy growth conditions  Journal Articles
• Design and Synthesis of Photoaffinity-Labeling Ligands of thel-Prolyl-l-leucylglycinamide Binding Site Involved in the Allosteric Modulation of the Dopamine Receptor  Journal Articles
• Design, Synthesis, X-ray Analysis, and Dopamine Receptor-Modulating Activity of Mimics of the "C5" Hydrogen-Bonded Conformation in the Peptidomimetic 2-Oxo-3(R)-[(2(S)-pyrrolidinylcarbonyl)amino]-1-pyrrolidineacetamide  Journal Articles
• Dimensions of the ion channel in neuronal nicotinic acetylcholine receptor as estimated from analysis of conformation-activity relationships of open-channel blocking drugs  Journal Articles
• Discovery of a novel class of aldol-derived 1,2,3-triazoles: Potent and selective inhibitors of human cytochrome P450 19A1 (aromatase)  Journal Articles
• Dispersion Relation of Lipid Membrane Shape Fluctuations by Neutron Spin-Echo Spectrometry  Journal Articles
• Docking of Verapamil in a Synthetic Ca2+Channel: Formation of a Ternary Complex Involving Ca2+Ions  Journal Articles
• Dopant profiling and surface analysis of silicon nanowires using capacitance–voltage measurements  Journal Articles
• During Apoptosis Bcl-2 Changes Membrane Topology at Both the Endoplasmic Reticulum and Mitochondria  Journal Articles
• Dynamically Driven Ligand Selectivity in Cyclic Nucleotide Binding Domains  Journal Articles
• ESR studies on the orientation of cholesteryl ester in phosphatidylcholine multilayers  Journal Articles
• Enhanced binding and conformational selectivity in affinity capillary electrophoresis using a water‐soluble resorcin[4]arene as intrinsic buffer and electrokinetic host  Journal Articles
• Epitaxially Driven Formation of Intricate Supported Gold Nanostructures on a Lattice-Matched Oxide Substrate  Journal Articles
• Ethanol enhances collective dynamics of lipid membranes  Journal Articles
• Evidence for Dual Binding Sites for 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane (DDT) in Insect Sodium Channels  Journal Articles
• Finite-size effects in biomimetic smectic films  Journal Articles
• First Principle Computational Study on the Full Conformational Space of l-Proline Diamides  Journal Articles
• Flexibility of “Polyunsaturated Fatty Acid Chains” and Peptide Backbones:  A Comparative ab Initio Study  Journal Articles
• General method for the determination of precursor configuration in biosynthetic precursor-product relations. Derivation of pipecolic acid from D-lysine, and of piperidine alkaloids from L-lysine  Journal Articles
• Growth, structure, and properties of BiFeO/sub 3/-BiCrO/sub 3/ films obtained by dual cross beam PLD  Journal Articles
• Guaianolides from Salvia nubicola (Lamiaceae)  Journal Articles
• Harnessing the Synthetic Capabilities of Glycopeptide Antibiotic Tailoring Enzymes: Characterization of the UK‐68,597 Biosynthetic Cluster  Journal Articles
• High throughput screening identifies novel inhibitors of Escherichia coli dihydrofolate reductase that are competitive with dihydrofolate  Journal Articles
• Identification of core allosteric sites through temperature- and nucleus-invariant chemical shift covariance  Journal Articles
• Imidazole-Based [2 + 1] Re(I)/^99mTc(I) Complexes as Isostructural Nuclear and Optical Probes  Journal Articles
• Indices for predicting the quality of leaving groups  Conferences
• Individual Multiwall Carbon Nanotubes Spectroscopy by Scanning Transmission X-ray Microscopy  Journal Articles
• Influence of cholesterol on the bilayer properties of monounsaturated phosphatidylcholine unilamellar vesicles  Journal Articles
• Influence of cholesterol on the collective dynamics of the phospholipid acyl chains in model membranes  Journal Articles
• Inspired by nature: investigating tetrataenite for permanent magnet applications  Journal Articles
• Interaction of Calcium Channel Antagonists with Calcium: Structural Studies on Nicardipine and Its Ca2+ Complex  Journal Articles
• Interaction of calcium channel antagonists with calcium: spectroscopic and modeling studies on diltiazem and its Ca2+ complex  Journal Articles
• Investigation of aryl halides as ketone bioisosteres: Refinement of potent and selective inhibitors of human cytochrome P450 19A1 (aromatase)  Journal Articles
• Investigation of the Anticoagulant Mechanisms of a Covalent Antithrombin-Heparin Complex  Journal Articles
• MS-Derived Isotopic Fine Structure Reveals Forazoline A as a Thioketone-Containing Marine-Derived Natural Product  Journal Articles
• Mapping of dihydropyridine binding residues in a less sensitive invertebrate L-type calcium channel (LCa_v1)  Journal Articles
• Measuring Point Defect Density in Individual Carbon Nanotubes Using Polarization-Dependent X-ray Microscopy  Journal Articles
• Mechanism of Action of an EPAC1-Selective Competitive Partial Agonist  Journal Articles
• Mechanism of Selective Enzyme Inhibition through Uncompetitive Regulation of an Allosteric Agonist  Journal Articles
• Microwave-Assisted Synthesis of 3,1,2- and 2,1,8-Re(I) and ^99mTc(I)−Metallocarborane Complexes  Journal Articles
• Modification of liposomes with N-substituted polyacrylamides: identification of proteins adsorbed from plasma  Journal Articles
• Molecular Modeling of Benzothiazepine Binding in the L-type Calcium Channel  Journal Articles
• Molecular beam epitaxial growth and characterization of catalyst-free InN/In_xGa_1−xN core/shell nanowire heterostructures on Si(111) substrates  Journal Articles
• Molecular diagnostics in follicular non-Hodgkin's lymphoma: A review  Conferences
• Molecular diagnostics in follicular non-Hodgkin's lymphoma: a review.  Journal Articles
• Multiple Quantum Well AlGaAs Nanowires  Journal Articles
• NIR Biosensing of Neurotransmitters in Stem Cell‐Derived Neural Interface Using Advanced Core–Shell Upconversion Nanoparticles  Journal Articles
• Oligomeric Amyloid Decreases Basal Levels of Brain-Derived Neurotrophic factor (BDNF) mRNA via Specific Downregulation of BDNF Transcripts IV and V in Differentiated Human Neuroblastoma Cells  Journal Articles
• On the applicability of local softness and hardness  Journal Articles
• On the interaction between 5-hydroxytryptamine and N-acetylneuraminic acid under aqueous conditions  Journal Articles
• Ordering of a lamella-forming fluid near an interface  Journal Articles
• Organization of Nucleotides in Different Environments and the Formation of Pre-Polymers  Journal Articles
• Phase field crystal study of deformation and plasticity in nanocrystalline materials  Journal Articles
• Plasmonic Nanopillar Arrays for Large-Area, High-Enhancement Surface-Enhanced Raman Scattering Sensors  Journal Articles
• Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes  Journal Articles
• Protean effects of a natural peptide agonist of the G protein-coupled secretin receptor demonstrated by receptor mutagenesis.  Journal Articles
• Protein Deposition on a Lathe-Cut Silicone Hydrogel Contact Lens Material  Journal Articles
• Quantitative Mapping of the Orientation of Fibroin β-Sheets in B. mori Cocoon Fibers by Scanning Transmission X-ray Microscopy  Journal Articles
• Reorientation phenomena in imidazolium methyl sulfonate as probed by advanced solid-state NMR  Journal Articles
• Robust Inorganic Membranes from Detachable Ultrathin Tantalum Oxide Films  Journal Articles
• Role of Dynamics in the Autoinhibition and Activation of the Exchange Protein Directly Activated by Cyclic AMP (EPAC)  Journal Articles
• Self-Directed Growth of AlGaAs Core−Shell Nanowires for Visible Light Applications  Journal Articles
• Silicone elastomers for reduced protein adsorption  Journal Articles
• Similarity of Ca²⁺‐bound conformations of morphine and Met‐enkephalin: A computational study  Journal Articles
• Size-dependent denaturing kinetics of bovine serum albumin adsorbed onto gold nanospheres  Journal Articles
• Sodium Channels: Ionic Model of Slow Inactivation and State-Dependent Drug Binding  Journal Articles
• Solid-state ²H NMR study of methyl-d₃-cobalamin  Journal Articles
• Solution-Processed LiF for Work Function Tuning in Electrode Bilayers  Journal Articles
• Spinodal wrinkling in thin-film poly(ethylene oxide)/polystyrene bilayers  Journal Articles
• Structural Model for Dihydropyridine Binding to L-type Calcium Channels  Journal Articles
• Structural determinants responsible for the biological activity of (-)-emetine, (-)-cryptopleurine, and (-)-tylocrebrine: structure-activity relationship among related compounds.  Journal Articles
• Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance  Journal Articles
• Structures and biosynthesis of 12-membered macrocyclic depsipeptides from Streptomyces sp. ML55  Journal Articles
• Synthesis and Biological Evaluation of Fully Functionalized seco-Pancratistatin Analogues  Journal Articles
• Synthesis and Dopamine Receptor Modulating Activity of 3-Substituted γ-Lactam Peptidomimetics of l-Prolyl-l-leucyl-glycinamide  Journal Articles
• Synthesis and Screening of a Library of Re/Tc-Based Amyloid Probes Derived from β-Breaker Peptides  Journal Articles
• Synthesis and Structure−Activity Relationships of Truncated Bisubstrate Inhibitors of Aminoglycoside 6‘-N-Acetyltransferases  Journal Articles
• Synthesis of Ortho- and Meta-Re(I)-Metallocarboranes in Water  Journal Articles
• Synthesis of Boroxifen, A Nido-Carborane Analogue of Tamoxifen  Journal Articles
• Synthesis of the Western Half of the Lolicines and Lolitrems  Journal Articles
• Synthesis, NMR, and X-ray Crystallographic Analysis of C-Hydrazino-C-Carboxycarboranes:  Versatile Ligands for the Preparation of BNCT and BNCS Agents and ^99mTc Radiopharmaceuticals  Journal Articles
• Synthesis, oxidation chemistry and cytotoxicity studies on ferrocene derivatives of diethylstilbestrol  Journal Articles
• Temperature effects on the occurrence of long interatomic distances in atomic chains formed from stretched gold nanowires  Journal Articles
• The COOH terminus of aminoglycoside phosphotransferase (3')-IIIa is critical for antibiotic recognition and resistance  Journal Articles
• The tetracycline resistome  Journal Articles
• Tin-oxide-coated single-walled carbon nanotube bundles supporting platinum electrocatalysts for direct ethanol fuel cells  Journal Articles
• Total Synthesis of (±)-Mersicarpine  Journal Articles
• Toward a Detailed Understanding of Base Excision Repair Enzymes:  Transition State and Mechanistic Analyses of N-Glycoside Hydrolysis and N-Glycoside Transfer  Journal Articles
• Tryptorubin A: A Polycyclic Peptide from a Fungus-Derived Streptomycete  Journal Articles
• Vgb from Staphylococcus aureus inactivates streptogramin B antibiotics by an elimination mechanism not hydrolysis  Journal Articles
• ZnO nanowire co-growth on SiO₂and C by carbothermal reduction and vapour advection  Journal Articles
• [14] Determining transition states from kinetic isotope effects  Journal Articles
• [A theoretical conformational analysis of several substrates of cholinesterase having a cyclic ammonium group structure].  Journal Articles
• [Conformation of 1,3-bis(p-chlorobenzylidene amino)guanidine (chimcoccide) and its interaction with calcium ions].  Journal Articles
• [Conformational properties of the noradrenaline molecule].  Journal Articles
• [Conformations of alkylammonium and heterocyclic onium derivatives of acetylcholine and the boundary of the anionic center of butyrylcholinesterase].  Journal Articles
• [Dependence of anti-acetylcholinesterase effectiveness of phosphoorganic inhibitors on the accessibility of the phosphorus atom].  Journal Articles
• [Distance between the ammonium groups of polymethylene bistrimethyl-ammonium compounds based on theoretical conformational analysis data].  Journal Articles
• [Molecular physiology of adrenoreceptors].  Journal Articles
• [Predisposition of the optimal conformations of adrenergic compounds to the formation of polydentate complexes with metal ions].  Journal Articles
• [Productive conformations of ligands and topography of the alpha1-adrenoreceptor active site based on theoretical conformation analysis].  Journal Articles
• [Relation between the rate of cholinesterase hydrolysis and the conformation of tertiary derivatives of acetylcholine].  Journal Articles
• [Theoretical conformational analysis of methylamide N-acetyl-L-arginine].  Journal Articles
• [Theoretical conformational analysis of methylamide of N-acetyl-L-lysine].  Journal Articles
• [Topography of the active site of the noradrenaline neuronal membrane carrier based on the theoretical conformation analysis of inhibitors of neuronal catecholamine uptake].  Journal Articles
• [Use of theoretical conformational analysis for solving the problem of the relationship between structure and action of cholinergic blockaders (difasil and amizil)].  Journal Articles
• {Re^IIICl₃} Core Complexes with Bifunctional Single Amino Acid Chelates  Journal Articles
• α-Synuclein and neuronal membranes: Conformational flexibilities in health and disease  Journal Articles