-
Subject Areas on Research
-
'Seeing' Strain in Soft Materials.
-
A Monte Carlo model reveals independent signaling at central glutamatergic synapses.
-
A combined explicit-implicit method for high accuracy reaction path integration.
-
A crystal clear view of the beta2-adrenergic receptor.
-
A crystal structure of a dimer of the antibiotic ramoplanin illustrates membrane positioning and a potential Lipid II docking interface.
-
A mathematical model of the folate cycle: new insights into folate homeostasis.
-
A mathematical model of tumor oxygen and glucose mass transport and metabolism with complex reaction kinetics.
-
A mechanistic study of evolvability using the mitogen-activated protein kinase cascade.
-
A molecular basis for inositol polyphosphate synthesis in Drosophila melanogaster.
-
A mutation-induced activated state of the beta 2-adrenergic receptor. Extending the ternary complex model.
-
A perspective for understanding the modes of juvenile hormone action as a lipid signaling system.
-
A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes.
-
A rapid fluorescence assay for FtsZ assembly indicates cooperative assembly with a dimer nucleus.
-
A reappraisal of the concept of an abnormality of glutamine metabolism in primary gout.
-
A robust framework to predict mercury speciation in combustion flue gases.
-
A simple route towards CuO nanowires and nanorods.
-
A stable dimer in the pH-induced equilibrium unfolding of the homo-hexameric enzyme 4-oxalocrotonate tautomerase (4-OT).
-
A statistical thermodynamic model of the protein ensemble.
-
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis.
-
Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.
-
Accelerated deamination of cytosine residues in UV-induced cyclobutane pyrimidine dimers leads to CC-->TT transitions.
-
Activation of human plasminogen by urokinase. Partial characterization of a pre-activation peptide.
-
Active learning for computational chemogenomics.
-
Active-site heterogeneity in Limulus hemocyanin as revealed by reaction with peroxides.
-
Adapting the nudged elastic band method for determining minimum-energy paths of chemical reactions in enzymes.
-
Addressing biological uncertainties in engineering gene circuits.
-
Adsorption of clofibric acid and ketoprofen onto powdered activated carbon: effect of natural organic matter.
-
Affinity of (alpha-P-borano)-NTP analogs to rabbit muscle pyruvate kinase.
-
Alternative explanation for the apparent "two-step" binding kinetics of high-affinity racemic antagonist radioligands.
-
An assessment of the effects of shell cross-linked nanoparticle size, core composition, and surface PEGylation on in vivo biodistribution.
-
An efficient and exact stochastic simulation method to analyze rare events in biochemical systems.
-
An empirical model for electrostatic interactions in proteins incorporating multiple geometry-dependent dielectric constants.
-
An equilibrium binding study of the interaction of aspartate transcarbamylase with cytidine 5'-triphosphate and adenosine 5'-triphosphate.
-
An unbiased evaluation of CK2 inhibitors by chemoproteomics: characterization of inhibitor effects on CK2 and identification of novel inhibitor targets.
-
Analysis of medaka cytochrome P450 3A homotropic and heterotropic cooperativity.
-
Analytical Debye-Huckel model for electrostatic potentials around dissolved DNA.
-
Analyzing site selectivity in Rh2(esp)2-catalyzed intermolecular C-H amination reactions.
-
Anti-AIDS agents--XXVII. Synthesis and anti-HIV activity of betulinic acid and dihydrobetulinic acid derivatives.
-
Antibody-antigen binding kinetics. A model for multivalency antibodies for large antigen systems.
-
Application of the finite difference method to model pH and substrate concentration in a double-chamber microbial fuel cell.
-
Architecture of Limulus polyphemus hemocyanin.
-
Assembly dynamics of Mycobacterium tuberculosis FtsZ.
-
Assessment of the number of nucleotide binding sites on chloroplast coupling factor 1 by the continuous variation method.
-
Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations.
-
Atomic contributions to the optical rotation angle as a quantitative probe of molecular chirality.
-
Automatic integration of the reaction path using diagonally implicit Runge-Kutta methods.
-
Basophile: accurate fragment charge state prediction improves peptide identification rates.
-
Beyond diffusion-limited aggregation kinetics in microparticle suspensions.
-
Binding site graphs: a new graph theoretical framework for prediction of transcription factor binding sites.
-
Biochemistry. Photosynthesis from the protein's perspective.
-
Biological charge transfer via flickering resonance.
-
CYP7B1: one cytochrome P450, two human genetic diseases, and multiple physiological functions.
-
Cadmium is a potent inhibitor of PPM phosphatases and targets the M1 binding site.
-
Calcineurin. Structure, function, and inhibition.
-
Calmodulin binds to caldesmon in an antiparallel manner.
-
Calorimetric determination of the standard transformed enthalpy of a biochemical reaction at specified pH and pMg.
-
Can regular solution theory be applied to lipid bilayer membranes?
-
Cardiac transient outward potassium current: a pulse chemistry model of frequency-dependent properties.
-
Cellular mechanisms of cyclophosphamide resistance: model studies in human medulloblastoma cell lines.
-
Cellular mechanisms regulating protein phosphatase-1. A key functional interaction between inhibitor-2 and the type 1 protein phosphatase catalytic subunit.
-
Characterization of Fe(III) sequestration by an analog of the cytotoxic siderophore brasilibactin A: implications for the iron transport mechanism in mycobacteria.
-
Characterization of nucleotide binding sites on chloroplast coupling factor 1.
-
Characterization of the cytotoxic activities of novel analogues of the antitumor agent, lavendamycin.
-
Characterizing micro-to-millisecond chemical exchange in nucleic acids using off-resonance R1ρ relaxation dispersion.
-
Characterizing the peroxisome proliferator-activated receptor (PPARγ) ligand binding potential of several major flame retardants, their metabolites, and chemical mixtures in house dust.
-
Charged fullerenes as high-capacity hydrogen storage media.
-
Chemical evolutionary games.
-
Chemical stability of metallic nanoparticles: a parameter controlling their potential cellular toxicity in vitro.
-
Chiral control of electron transmission through molecules.
-
Cloretazine (VNP40101M), a novel sulfonylhydrazine alkylating agent, in patients age 60 years or older with previously untreated acute myeloid leukemia.
-
Co-operativity in protein-protein association. The structure and stability of the actin filament.
-
Coefficient of restitution for wet particles.
-
Colloid osmotic pressure of steer alpha- and beta-crystallins: possible functional roles for lens crystallin distribution and structural diversity.
-
Communication: An exact short-time solver for the time-dependent Schrödinger equation.
-
Comparative proteomic analysis of differentially expressed proteins in β-aminobutyric acid enhanced Arabidopsis thaliana tolerance to simulated acid rain.
-
Comparative quantitative trait loci mapping of aliphatic, indolic and benzylic glucosinolate production in Arabidopsis thaliana leaves and seeds.
-
Comparison of manufactured and black carbon nanoparticle concentrations in aquatic sediments.
-
Computational studies of small carbon and iron-carbon systems relevant to carbon nanotube growth.
-
Concerted O atom-proton transfer in the O-O bond forming step in water oxidation.
-
Conformation of xylocholine.
-
Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase.
-
Conformational mechanics, adsorption, and normal force interactions of lubricin and hyaluronic acid on model surfaces.
-
Conformational selection or induced fit: a flux description of reaction mechanism.
-
Constitutive activity of receptors coupled to guanine nucleotide regulatory proteins.
-
Construction of new ligand binding sites in proteins of known structure. I. Computer-aided modeling of sites with pre-defined geometry.
-
Control of electrical alternans in simulations of paced myocardium using extended time-delay autosynchronization.
-
Control of electron transfer in nitrogenase.
-
Coupling coherence distinguishes structure sensitivity in protein electron transfer.
-
Critical redox and allosteric aspects of nitric oxide interactions with hemoglobin.
-
Crustacean peptide and peptide-like pheromones and kairomones.
-
Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
-
Cryo-EM structure of a mitochondrial calcium uniporter.
-
Cryo-EM structures of the SARS-CoV-2 endoribonuclease Nsp15 reveal insight into nuclease specificity and dynamics.
-
Crystal structure of the human LRH-1 DBD-DNA complex reveals Ftz-F1 domain positioning is required for receptor activity.
-
De novo design, expression, and characterization of Felix: a four-helix bundle protein of native-like sequence.
-
Design of a ruthenium-labeled cytochrome c derivative to study electron transfer with the cytochrome bc1 complex.
-
Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding.
-
Detection of vesicoureteral reflux using microwave radiometry-system characterization with tissue phantoms.
-
Development of DX-9065a, a novel direct factor Xa antagonist, in cardiovascular disease.
-
Development of a 3-body:many-body integrated fragmentation method for weakly bound clusters and application to water clusters (H2O)(n = 3-10, 16, 17).
-
Dimensional study of the caging order parameter at the glass transition.
-
Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal (15)N2-diazirine molecular tags.
-
Directed evolution of a new catalytic site in 2-keto-3-deoxy-6-phosphogluconate aldolase from Escherichia coli.
-
Discovery and optimization of imidazo[1,2-a]pyridine inhibitors of insulin-like growth factor-1 receptor (IGF-1R).
-
Discovery of thiophene inhibitors of polo-like kinase.
-
Dissociation of nitric oxide from soluble guanylate cyclase and heme-nitric oxide/oxygen binding domain constructs.
-
Dissociation rate constants of human fibronectin binding to fibronectin-binding proteins on living Staphylococcus aureus isolated from clinical patients.
-
Distribution of reaction intermediates on chicken liver fatty acid synthase.
-
Donor-bridge-acceptor energetics determine the distance dependence of electron tunneling in DNA.
-
Downhill kinetics of biomolecular interface binding: globally connected scenario.
-
Dual-topology/dual-coordinate free-energy simulation using QM/MM force field.
-
Dynamic docking and electron-transfer between cytochrome b5 and a suite of myoglobin surface-charge mutants. Introduction of a functional-docking algorithm for protein-protein complexes.
-
Dynamic infrared linear dichroism study of the temperature-dependent, viscoelastic behavior of a poly(ester urethane).
-
Effect of chain length and unsaturation on elasticity of lipid bilayers.
-
Effect of fluid shear stress on the permeability of the arterial endothelium.
-
Effects of humic acid and electrolytes on photocatalytic reactivity and transport of carbon nanoparticle aggregates in water.
-
Efficiency, selectivity, and robustness of nucleocytoplasmic transport.
-
Efficient global biopolymer sampling with end-transfer configurational bias Monte Carlo.
-
Elastic response, buckling, and instability of microtubules under radial indentation.
-
Elasticity, strength, and water permeability of bilayers that contain raft microdomain-forming lipids.
-
Elastin-like polypeptides as models of intrinsically disordered proteins.
-
Electrochemical biosensor of nanocube-augmented carbon nanotube networks.
-
Electrostatic contribution in the catalysis of O2*- dismutation by superoxide dismutase mimics. MnIIITE-2-PyP5+ versus MnIIIBr8T-2-PyP+.
-
Elementary steps in the reaction mechanism of the alpha-ketoglutarate dehydrogenase multienzyme complex from Escherichia coli: kinetics of succinylation and desuccinylation.
-
Enhanced protein flexibility caused by a destabilizing amino acid replacement in BPTI.
-
Essential roles of S-nitrosothiols in vascular homeostasis and endotoxic shock.
-
Evaluating the effects of climate change on summertime ozone using a relative response factor approach for policymakers.
-
Experimental evidence for the secondary structure of the hepatitis delta virus ribozyme.
-
Exploring chemical space with discrete, gradient, and hybrid optimization methods.
-
Exposing Hidden High-Affinity RNA Conformational States.
-
Expression cloning of three Rhizobium leguminosarum lipopolysaccharide core galacturonosyltransferases.
-
False-positive rate determination of protein target discovery using a covalent modification- and mass spectrometry-based proteomics platform.
-
Fast acquisition of high resolution 4-D amide-amide NOESY with diagonal suppression, sparse sampling and FFT-CLEAN.
-
Fast molecular shape matching using contact maps.
-
Fe(III) coordination properties of a new saccharide-based exocyclic trihydroxamate analogue of ferrichrome.
-
Fe3+ coordination and redox properties of a bacterial transferrin.
-
Flexible histone tails in a new mesoscopic oligonucleosome model.
-
Flory theorem for structurally asymmetric mixtures.
-
Fluorescence energy transfer between ligand binding sites on chloroplast coupling factor 1.
-
Folding mechanism of a multiple independently-folding domain protein: double B domain of protein A.
-
Force measurements of the alpha5beta1 integrin-fibronectin interaction.
-
Four new adenosine deaminase mutations, altering a zinc-binding histidine, two conserved alanines, and a 5' splice site.
-
Fractal structures of single-walled carbon nanotubes in biologically relevant conditions: role of chirality vs. media conditions.
-
Fragility and mechanosensing in a thermalized cytoskeleton model with forced protein unfolding.
-
Full reconstruction of a vectorial protein folding pathway by atomic force microscopy and molecular dynamics simulations.
-
Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex.
-
Functional roles of the two domains of phosducin and phosducin-like protein.
-
GAVA: spectral simulation for in vivo MRS applications.
-
Gene duplication in the diversification of secondary metabolism: tandem 2-oxoglutarate-dependent dioxygenases control glucosinolate biosynthesis in Arabidopsis.
-
Generalized dead-end elimination algorithms make large-scale protein side-chain structure prediction tractable: implications for protein design and structural genomics.
-
Generation of impossible cross-peaks between bulk water and biomolecules in solution NMR.
-
Gold(I)-catalyzed dynamic kinetic enantioselective intramolecular hydroamination of allenes.
-
Gold(I)-catalyzed intramolecular hydroamination of unactivated C==C bonds with alkyl ammonium salts.
-
Growth of cationic lipid toward bilayer lipid membrane by solution spreading: scanning probe microscopy study.
-
Hard-sphere crystallization gets rarer with increasing dimension.
-
High-throughput screen for inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase by surrogate ligand competition.
-
Highly parallel acoustic assembly of microparticles into well-ordered colloidal crystallites.
-
How does protein architecture facilitate the transduction of ATP chemical-bond energy into mechanical work? The cases of nitrogenase and ATP binding-cassette proteins.
-
Hydration and conformational mechanics of single, end-tethered elastin-like polypeptides.
-
Hydration potential of lysozyme: protein dehydration using a single microparticle technique.
-
Hydrocarbon emissions and health risks from cookstoves in developing countries.
-
Hydrophobic interactions increase attachment of gum Arabic- and PVP-coated Ag nanoparticles to hydrophobic surfaces.
-
Hyperpolarized carbon-carbon intermolecular multiple quantum coherences.
-
IMDA/aldol strategy for transforming carbohydrates into functionalized trans-decalins.
-
Idealization and simulation of single ion channel data.
-
Identification of 3-methylglutarylcarnitine. A new diagnostic metabolite of 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency.
-
Identification of a residue critical for maintaining the functional conformation of BPTI.
-
Identification of key amino acids responsible for the substantially higher affinities of human type 1 3beta-hydroxysteroid dehydrogenase/isomerase (3beta-HSD1) for substrates, coenzymes, and inhibitors relative to human 3beta-HSD2.
-
Importance of heterogeneous aggregation for NP fate in natural and engineered systems.
-
In vitro characterization of vascular endothelial growth factor and dexamethasone releasing hydrogels for implantable probe coatings.
-
Incorporation of non-proteolytic proteins by murine alpha2-macroglobulin.
-
Incorporation of ribonucleoside 5'-(alpha-P-borano)triphosphates into a 20-mer RNA by T7 RNA polymerase.
-
Influence of lipid composition on physical properties and peg-mediated fusion of curved and uncurved model membrane vesicles: "nature's own" fusogenic lipid bilayer.
-
Informative priors based on transcription factor structural class improve de novo motif discovery.
-
Inside-out Z rings--constriction with and without GTP hydrolysis.
-
Integrated single-walled carbon nanotube/microfluidic devices for the study of the sensing mechanism of nanotube sensors.
-
Integrating statistical pair potentials into protein complex prediction.
-
Integration of cell-free protein coexpression with an enzyme-linked immunosorbent assay enables rapid analysis of protein-protein interactions directly from DNA.
-
Interaction sites of the C-terminal region of the cGMP phosphodiesterase inhibitory subunit with the GDP-bound transducin alpha-subunit.
-
Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives.
-
Ionophore 4-BrA23187 transports Zn2+ and Mn2+ with high selectivity over Ca2+.
-
Is it better to combine predictions?
-
Isolation and characterization of a prenylcysteine lyase from bovine brain.
-
Kinetic scheme for intermolecular RNA cleavage by a ribozyme derived from hepatitis delta virus RNA.
-
Kinetic study of collagen fixation with polyepoxy fixatives.
-
Kinetics and mechanism of iron(III) complexation by ferric binding protein: the role of phosphate.
-
Kinetics of iron release from ferric binding protein (FbpA): mechanistic implications in bacterial periplasm-to-cytosol Fe3+ transport.
-
Lactobacillus reuteri DSM 20016 produces cobalamin-dependent diol dehydratase in metabolosomes and metabolizes 1,2-propanediol by disproportionation.
-
Leveraging single protein polymers to measure flexural rigidity.
-
Linked folding and anion binding of the Bacillus subtilis ribonuclease P protein.
-
Log-rolling micelles in sheared amphiphilic thin films.
-
Lysolipid incorporation in dipalmitoylphosphatidylcholine bilayer membranes enhances the ion permeability and drug release rates at the membrane phase transition.
-
Lysosomal prenylcysteine lyase is a FAD-dependent thioether oxidase.
-
Mapping bacterial glycolipid complexity using capillary electrophoresis and electrospray mass spectrometry.
-
Mapping of a ligand-binding site for the human thromboxane A2 receptor protein.
-
Markov state models based on milestoning
-
Mathematical analysis of the regulation of competing methyltransferases.
-
Measurements of secondary organic aerosol from oxidation of cycloalkenes, terpenes, and m-xylene using an Aerodyne aerosol mass spectrometer.
-
Mechanically interlocked calix[4]arene dimers display reversible bond breakage under force.
-
Mechanics considerations for microporous titanium as an orthopedic implant material.
-
Mechanics of electrocompression of lipid bilayer membranes.
-
Mechanism for catalysis and regulation of adenosine 5'-triphosphate hydrolysis by chloroplast coupling factor 1.
-
Mechanism of Cdc25B phosphatase with the small molecule substrate p-nitrophenyl phosphate from QM/MM-MFEP calculations.
-
Mechanism of OMP decarboxylation in orotidine 5'-monophosphate decarboxylase.
-
Mechanism of nicotinamide-adenine dinucleotide binding to rabbit muscle glyceraldehyde 3-phosphate dehydrogenase.
-
Mechanistic analysis of the Saccharomyces cerevisiae kinesin Kar3.
-
Mechanistic and mutational studies of Escherichia coli molybdopterin synthase clarify the final step of molybdopterin biosynthesis.
-
Mechanochemistry: A tour of force.
-
Microdroplet dissolution into a second-phase solvent using a micropipet technique: test of the Epstein-Plesset model for an aniline-water system.
-
Microscale diffusion properties of the cartilage pericellular matrix measured using 3D scanning microphotolysis.
-
Model synthesis of nucleoside boranophosphoramidate with amino acid for prodrug purpose.
-
Modeling biological systems using Dynetica--a simulator of dynamic networks.
-
Modeling the biochemical differences between rabbit muscle and human liver phosphorylase.
-
Modulating unimolecular charge transfer by exciting bridge vibrations.
-
Molecular definition of a novel inositol polyphosphate metabolic pathway initiated by inositol 1,4,5-trisphosphate 3-kinase activity in Saccharomyces cerevisiae.
-
Molecular encapsulation.
-
Molybdopterin synthase mutations in a mild case of molybdenum cofactor deficiency.
-
Monte Carlo simulation and molecular theory of tethered polyelectrolytes.
-
Monte Carlo simulations of the transformation and removal of Ag, TiO2, and ZnO nanoparticles in wastewater treatment and land application of biosolids.
-
Monte-Carlo-based model for the extraction of intrinsic fluorescence from turbid media.
-
Multiplex-PCR-based recombination as a novel high-fidelity method for directed evolution.
-
Mutagenesis of the phosphate-binding pocket of KDPG aldolase enhances selectivity for hydrophobic substrates.
-
Mutants resistant to LpxC inhibitors by rebalancing cellular homeostasis.
-
Mutational analysis of potential zinc-binding residues in the active site of the enterococcal D-Ala-D-Ala dipeptidase VanX.
-
NMR structures of biomolecules using field oriented media and residual dipolar couplings.
-
New sensitive micro-measurements of dynamic surface tension and diffusion coefficients: Validated and tested for the adsorption of 1-Octanol at a microscopic air-water interface and its dissolution into water.
-
Nitric oxide signaling: no longer simply on or off.
-
Numerical simulations of ethacrynic acid transport from precorneal region to trabecular meshwork.
-
Nutrient limitation and physiology mediate the fine-scale (de)coupling of biogeochemical cycles.
-
OligoCalc: an online oligonucleotide properties calculator.
-
Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles.
-
Optically tunable nanoparticle contrast agents for early cancer detection: model-based analysis of gold nanoshells.
-
Optimal specificity and function for flexible biomolecular recognition.
-
Optimization of expression of human sulfite oxidase and its molybdenum domain.
-
Optimizing the substrate specificity of a group I intron ribozyme.
-
Order parameter fluctuations at a buried quantum critical point.
-
Overcoming methodological weakness in dose-intense alkylating agent studies through pharmacology.
-
Parallel iterative reaction path optimization in ab initio quantum mechanical/molecular mechanical modeling of enzyme reactions.
-
Parallel molecular computations of pairwise exclusive-or (XOR) using DNA "string tile" self-assembly.
-
Pathways of folding of reduced bovine pancreatic ribonuclease.
-
Persistence of structure over fluctuations in biological electron-transfer reactions.
-
Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics.
-
Phosphorylation and desensitization of human endothelin A and B receptors. Evidence for G protein-coupled receptor kinase specificity.
-
Photocrosslinkable polyvinyl alcohol hydrogels that can be modified with cell adhesion peptides for use in tissue engineering.
-
Photodegradation pathways of nonabrominated diphenyl ethers, 2-ethylhexyltetrabromobenzoate and di(2-ethylhexyl)tetrabromophthalate: identifying potential markers of photodegradation.
-
Photodisintegration cross section of the reaction (4)He(γ,p)(3)H between 22 and 30 MeV.
-
Photopolymerizable hydrogels for tissue engineering applications.
-
Physical and economic potential of geological CO 2 storage in saline aquifers
-
Planar wallpaper group metamaterials for novel terahertz applications.
-
Poly(ethylene glycol) hydrogels conjugated with a collagenase-sensitive fluorogenic substrate to visualize collagenase activity during three-dimensional cell migration.
-
Population pharmacokinetics of piperacillin using scavenged samples from preterm infants.
-
Potential landscape and flux framework of nonequilibrium networks: robustness, dissipation, and coherence of biochemical oscillations.
-
Preclinical and clinical pharmacodynamic assessment of L-778,123, a dual inhibitor of farnesyl:protein transferase and geranylgeranyl:protein transferase type-I.
-
Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees.
-
Prediction of solvent-induced morphological changes of polyelectrolyte diblock copolymer micelles.
-
Pretreatment of amphiphilic comb polymer surfaces dramatically affects protein adsorption.
-
Probabilistic Analysis of Localized DNA Hybridization Circuits.
-
Probing the folding and unfolding dynamics of secondary and tertiary structures in a three-helix bundle protein.
-
Probing the interplay between the two steps of group I intron splicing: competition of exogenous guanosine with omega G.
-
Protein S-nitrosylation: purview and parameters.
-
Protein construct storage: Bayesian variable selection and prediction with mixtures.
-
Protein design and folding: template trapping of self-assembled helical bundles.
-
Protein folding dynamics: quantitative comparison between theory and experiment.
-
Protein nitration is mediated by heme and free metals through Fenton-type chemistry: an alternative to the NO/O2- reaction.
-
Protein-resistant polymer coatings on silicon oxide by surface-initiated atom transfer radical polymerization.
-
Proteomic analysis of arginine adducts on glyoxal-modified ribonuclease.
-
Pulling geometry-induced errors in single molecule force spectroscopy measurements.
-
Quadratic string method for determining the minimum-energy path based on multiobjective optimization.
-
Quantitation of protein-protein interactions by thermal stability shift analysis.
-
Quantitative determinants of aerobic glycolysis identify flux through the enzyme GAPDH as a limiting step.
-
Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction.
-
Rapid assignment of protein side chain resonances using projection-reconstruction of (4,3)D HC(CCO)NH and intra-HC(C)NH experiments.
-
Rapid in vitro assembly dynamics and subunit turnover of FtsZ demonstrated by fluorescence resonance energy transfer.
-
Rational protein design: combining theory and experiment.
-
Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order "chain-of-replicas" methods.
-
Reactions of manganese porphyrins with peroxynitrite and carbonate radical anion.
-
Recognition and processing of randomly fluctuating electric signals by Na,K-ATPase.
-
Reconfigurable core-satellite nanoassemblies as molecularly-driven plasmonic switches.
-
Redox signaling: nitrosylation and related target interactions of nitric oxide.
-
Regulation of enzyme activity. The activity of enzymes can be controlled by a multiplicity of conformational equilibria.
-
Regulation of the cyanide-resistant alternative oxidase of plant mitochondria. Identification of the cysteine residue involved in alpha-keto acid stimulation and intersubunit disulfide bond formation.
-
Relating atrazine degradation rate in soil to environmental conditions: implications for global fate modeling.
-
Relaxation spectra of adenosine triphosphate-creatine phosphotransferase.
-
Relaxation spectra of aspartate transcarbamylase. Interaction of the native enzyme with aspartate analogs.
-
Relaxation spectrometry of biological systems.
-
Resonance Raman spectroscopic characterization of the molybdopterin active site of DMSO reductase.
-
Revealing noncovalent interactions.
-
Reversibly cross-linked surface-grafted polymer brushes.
-
Roles of bilayer material properties in function and distribution of membrane proteins.
-
S-N dissociation energies of S-nitrosothiols: on the origins of nitrosothiol decomposition rates.
-
Sampling of the NMR time domain along concentric rings.
-
Scaling behavior of nanopatterned polymer brushes.
-
Secure analysis of distributed chemical databases without data integration.
-
Self-interaction-free exchange-correlation functional for thermochemistry and kinetics.
-
Sequential quadratic programming method for determining the minimum energy path.
-
Signal irreproducibility in high-field solution magnetic resonance experiments caused by spin turbulence.
-
Simulation of electron transfer between cytochrome C2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants.
-
Small-molecule dynamics and mechanisms underlying the macroscopic mechanical properties of coordinatively cross-linked polymer networks.
-
Solvent effect on optical rotation: A case study of methyloxirane in water.
-
Spatial modeling for groundwater arsenic levels in North Carolina.
-
Spatially refined aerosol direct radiative forcing efficiencies.
-
Spectroelectrochemistry of heme proteins: effects of active-site heterogeneity on Nernst plots.
-
Sphingolipidomics: high-throughput, structure-specific, and quantitative analysis of sphingolipids by liquid chromatography tandem mass spectrometry.
-
Squeezing flows of vaginal gel formulations relevant to microbicide drug delivery.
-
Stability analysis for drugs with multiple active ingredients.
-
Stability of metal-glutathione complexes during oxidation by hydrogen peroxide and Cu(II)-catalysis.
-
Statistical analysis of RNA backbone.
-
Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms.
-
Statistical prediction and molecular dynamics simulation.
-
Stereochemical course of nucleotidyl transfer catalyzed by bacteriophage T7 induced DNA polymerase.
-
Strategy to discover diverse optimal molecules in the small molecule universe.
-
Strong means slow: dynamic contributions to the bulk mechanical properties of supramolecular networks.
-
Structural and dynamic analysis of residual dipolar coupling data for proteins.
-
Structural and mechanical study of a self-assembling protein nanotube.
-
Structural studies of molybdopterin synthase provide insights into its catalytic mechanism.
-
Structure and dynamics of an extended conjugated NLO chromophore within an amphiphilic 4-helix bundle peptide by molecular dynamics simulation.
-
Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation.
-
Structures of Cryptococcus neoformans protein farnesyltransferase reveal strategies for developing inhibitors that target fungal pathogens.
-
Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ.
-
Submillisecond folding of monomeric lambda repressor.
-
Surface-stress-induced phase transformation in metal nanowires.
-
Surfactant-assisted synthesis of Keggin-type polyoxometalates nanorods.
-
SymROP: ROP protein with identical helices redesigned by all-atom contact analysis and molecular dynamics.
-
Synthesis and biological evaluation of an 123I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging.
-
Synthesis and evaluation of a phosphonate analogue of the soluble guanylate cyclase activator YC-1.
-
Synthesis of 5-(1-propynyl)-2'-deoxyuridine 5'-(alpha-P-borano)triphosphate and kinetic characterization as a substrate for mmlv reverse transcriptase.
-
Synthesis of 5-ethynyl-2'-deoxyuridine-5'-boranomono phosphate as a potential thymidylate synthase inhibitor.
-
Synthetic and model computational studies of molar rotation additivity for interacting chiral centers: a reinvestigation of van't Hoff's principle.
-
Synthetic biomimetic hydrogels incorporated with ephrin-A1 for therapeutic angiogenesis.
-
Ternary complex formation facilitates a redox mechanism for iron release from a siderophore.
-
Test of the Epstein-Plesset model for gas microparticle dissolution in aqueous media: effect of surface tension and gas undersaturation in solution.
-
The H2O-NaCl-glycerol phase diagram and its application in cryobiology.
-
The calmodulin binding domain of chicken smooth muscle myosin light chain kinase contains a pseudosubstrate sequence.
-
The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates.
-
The cubic ternary complex receptor-occupancy model. III. resurrecting efficacy.
-
The effect of a single boranophosphate substitution with defined configuration on the thermal stability and conformation of a DNA duplex.
-
The effect of detergents on the reduction of tetrazolium salts.
-
The effect of plasmin on the subunit structure of human fibrin.
-
The energy landscape of a fast-folding protein mapped by Ala-->Gly substitutions.
-
The extracellular nuclease of Staphylococcus aureus: structures of the native enzyme and an enzyme-inhibitor complex at 4 A resolution.
-
The kinase Grk2 regulates Nedd4/Nedd4-2-dependent control of epithelial Na+ channels.
-
The kinetic mechanism of EcoRI endonuclease.
-
The molecular basis for ligand specificity in a mouse olfactory receptor: a network of functionally important residues.
-
The motion of a single molecule, the lambda-receptor, in the bacterial outer membrane.
-
The nature of aqueous tunneling pathways between electron-transfer proteins.
-
The oxyhemoglobin reaction of nitric oxide.
-
The regulation and nature of the cyanide-resistant alternative oxidase of plant mitochondria.
-
The role of FeS clusters for molybdenum cofactor biosynthesis and molybdoenzymes in bacteria.
-
The role of cavitation in liposome formation.
-
The role of thickness transitions in convective assembly.
-
The role of tyrosine 343 in substrate binding and catalysis by human sulfite oxidase.
-
The structural mechanism of GTP stabilized oligomerization and catalytic activation of the Toxoplasma gondii uracil phosphoribosyltransferase.
-
The surface of beta-sheet proteins contains amphiphilic regions which may provide clues about protein folding.
-
The use of Bayesian networks for nanoparticle risk forecasting: model formulation and baseline evaluation.
-
Theoretical study of catalytic mechanism for single-site water oxidation process.
-
Thermodynamic analysis of subunit interactions in Escherichia coli molybdopterin synthase.
-
Thermodynamics of reactions catalyzed by PABA synthase.
-
Thermodynamics, kinetics, and mechanism of the stepwise dissociation and formation of Tris(L-lysinehydroxamato)iron(III) in aqueous acid.
-
Thermopower of molecular junctions: an ab initio study.
-
Total synthesis of (-)-hennoxazole A.
-
Toward Building Protein Force Fields by Residue-Based Systematic Molecular Fragmentation and Neural Network.
-
Towards Raman optical activity calculations of large molecules.
-
Transient kinetic approaches to enzyme mechanisms.
-
Transport properties of the calcium ionophore ETH-129.
-
Treatment of mixtures of toluene and n-propanol vapours in a compost-woodchip-based biofilter.
-
Two-dimensional tracking of ncd motility by back focal plane interferometry.
-
Ultrasonic absorption measurements in aqueous solutions of glycine, diglycine, and triglycine.
-
Using dynamic programming to create isotopic distribution maps from mass spectra.
-
Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+).
-
Vibrational Properties of Metastable Polymorph Structures by Machine Learning.
-
WRP/srGAP3 facilitates the initiation of spine development by an inverse F-BAR domain, and its loss impairs long-term memory.
-
Why Are DNA and Protein Electron Transfer So Different?
-
X-ray crystal structure and conformation of a spin-labeled acetylcholine, DL-4-[N,N-dimethyl-n-(ethan-2'-olacetate)amino]-2,2,6,6-tetramethylpiperidine-1-oxyliodide.
-
YbiV from Escherichia coli K12 is a HAD phosphatase.
-
Keywords of People
-
Blum, Volker,
Associate Professor in the Department of Mechanical Engineering and Materials Science,
Duke University Energy Initiative
-
Chitneni, Satish K.,
Associate Professor in Radiology,
Radiology
-
Cohen-Wolkowiez, Michael,
Professor of Pediatrics,
Pediatrics, Infectious Diseases
-
Deshusses, Marc,
Professor of Civil and Environmental Engineering,
Duke University Energy Initiative
-
Erickson, Harold Paul,
James B. Duke Distinguished Professor of Cell Biology,
Cell Biology
-
Gottlin, Elizabeth B.,
Assistant Professor of Radiology,
Radiology
-
Heffernan, James Brendan,
Associate Professor of Ecosystem Ecology and Ecohydrology,
Environmental Sciences and Policy
-
Hsu-Kim, Heileen,
Sternberg Family Professor of Civil & Environmental Engineering,
Civil and Environmental Engineering
-
Katz, David F.,
Nello L. Teer, Jr. Distinguished Professor of Biomedical Engineering, in the Edmund T. Pratt, Jr. School of Engineering,
Biomedical Engineering
-
Oas, Terrence Gilbert,
Professor of Biochemistry,
Biochemistry
-
Palmer, Gregory M.,
Associate Professor of Radiation Oncology,
Radiation Oncology
-
Shindell, Drew Todd,
Nicholas Distinguished Professor of Earth Science,
Earth and Ocean Sciences
-
Soderling, Scott Haydn,
George Barth Geller Distinguished Professor of Molecular Biology,
Cell Biology
-
Sullivan, Daniel Carl,
Professor Emeritus of Radiology,
Radiology
-
Yellen, Benjamin,
Associate Professor in the Department of Mechanical Engineering and Materials Science,
Mechanical Engineering and Materials Science