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Complex DNA Binding Kinetics Resolved by CombinedCircular Dichroism and Luminescence Analysis
Spectral Tuning in Visual Pigments: An ONIOM(QM:MM) Study on Bovine Rhodopsin and its Mutants
Continuum Polarizable Force Field within the Poisson−Boltzmann Framework
Structure and Stability of Short β-Peptide Nanotubes: A Non-Natural Representative of Collagen?
Quantification of the Binding Constant of Copper(II) to the Amyloid-Beta Peptide
Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlate with Their Substrate Preferences
Biophysical Studies on the Full-Length Human Cyclin A2: Protein Stability and Folding/Unfolding Thermodynamics
Transient 2D-IR Spectroscopy of Thiopeptide Isomerization
Proton Translocation and Electronic Relaxation along a Hydrogen-Bonded Molecular Wire in a 6-Hydroxyquinoline/Acetic Acid Complex
Enzyme Flexibility and the Catalytic Mechanism of Farnesyltransferase: Targeting the Relation
Analysis of the Structural and Dynamic Properties of Human N-Terminal Domain of Apolipoprotein E by Molecular Dynamics Simulations
Protonation and Conformational Dynamics of GFP Mutants by Two-Photon Excitation Fluorescence Correlation Spectroscopy
Structure−Property Relationships in the Crystals of the Smallest Amino Acid: An Incoherent Inelastic Neutron Scattering Study of the Glycine Polymorphs
Why 1-NH and 3-NH Protons of d-Biotin Exhibit Different Activities in Aqueous Solution
Energy Transport in Peptide Helices: A Comparison between High- and Low-Energy Excitations
The Binding Orientation of a Norindenoisoquinoline in the Topoisomerase I−DNA Cleavage Complex Is Primarily Governed by π−π Stacking Interactions
γ-Cyclodextrin Forms a Highly Compressible Complex with 1-Adamantanecarboxylic Acid
Average Electron Tunneling Route of the Electron Transfer in Protein Media
Gas-Phase Mechanisms of Degradation of Hazardous Organophosphorus Compounds: Do They Follow a Common Pattern of Alkaline Hydrolysis Reaction As in Phosphotriesterase?
Characterizing the First Steps of Amyloid Formation for the ccβ Peptide
Photosensitized Breakage and Damage of DNA by CdSe−ZnS Quantum Dots
β-Azidoalanine as an IR Probe: Application to Amyloid Aβ(16-22) Aggregation
Internal Electric Field in Cytochrome C Explored by Visible Electronic Circular Dichroism Spectroscopy.
Spatial Fluctuations Affect the Dynamics of Motor Proteins
Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
Analysis of Lipid Peroxidation Kinetics. 1. Role of Recombination of Alkyl and Peroxyl Radicals
Quantitation and Differentiation of Bioparticles Based on the Measurements of Light-Scattering Signals with a Common Spectrofluorometer
Temperature and Pressure Dependence of Alanine Dipeptide Studied by Multibaric−Multithermal Molecular Dynamics Simulations
Experimental and Theoretical Studies of Potassium Cation Interactions with the Acidic Amino Acids and Their Amide Derivatives
Concentration Profiles near an Activated Enzyme
Stability and Cations Coordination of DNA and RNA 14-Mer G-Quadruplexes: A Multiscale Computational Approach
The Effect of the Secondary Structure on Dissociation of Peptide Radical Cations: Fragmentation of Angiotensin III and Its Analogues
Car−Parrinello MD Simulations for the Na+−Phenylalanine Complex in Aqueous Solution
Ligand-Induced Tertiary Relaxations During the T-to-R Quaternary Transition in Hemoglobin
Simultaneous Analysis of Ultrafast Fluorescence Decays of FMN Binding Protein and Its Mutated Proteins by Molecular Dynamic Simulation and Electron Transfer Theory
Insight into the Phosphoryl Transfer of the Escherichia coli Glucose Phosphotransferase System from QM/MM Simulations
Alternate Deposition of Oriented Calcite and Amino Acid Layer On Calcite Substrates
Monitoring Orientation and Dynamics of Membrane-Bound Melittin Utilizing Dansyl Fluorescence
Conformational Preferences of β- and γ-Aminated Proline Analogues
Adsorption of Ascorbic Acid on the C60 Fullerene
Spatial Desynchronization of Glycolytic Waves as Revealed by Karhunen−Loève Analysis
Influence of Hydration on Protein Dynamics: Combining Dielectric and Neutron Scattering Spectroscopy Data
Compartmentalized Nanocomposite for Dynamic Nitric Oxide Release
Determination of Protein Denaturation and Glass Transition Temperatures Using High-Frequency Time Domain Reflectometry
Photoexcitation of Adenine Cation Radical [A•+] in the near UV−vis Region Produces Sugar Radicals in Adenosine and in Its Nucleotides
Site-selective Intramolecular Hydrogen-Bonding Interactions in Phosphorylated Serine and Threonine Dipeptides
Visualization of the Detailed Structure of Plasmid DNA
The Amino Group in Adenine: MP2 and CCSD(T) Complete Basis Set Limit Calculations of the Planarization Barrier and DFT/B3LYP Study of the Anharmonic Frequencies of Adenine
Static and Dynamic Interaction of a Naturally Occurring Photochromic Molecule with Bovine Serum Albumin Studied by UV−Visible Absorption and Fluorescence Spectroscopy
Substrate-assisted Catalysis in the Aminoacyl Transfer Mechanism of Histidyl−tRNA Synthetase: A Density Functional Theory Study
Comparative Molecular Dynamics Studies of Wild-Type and Oxidized Forms of Full-Length Alzheimer Amyloid β-Peptides Aβ(1−40) and Aβ(1−42)
Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters
Estimating the “Steric Clash” at cis Peptide Bonds
Phase Diagram of Androsterol−Dipalmitoylphosphatidylcholine Mixtures Dispersed in Excess Water
How CO Binds to Hexacoordinated Heme in Neuroglobin Protein
Binding to DNA Purine Base and Structure−Activity Relationship of a Series of Structurally Related Ru(II) Antitumor Complexes: A Theoretical Study
Structure and Vibrational Dynamics of Model Compounds of the [FeFe]−Hydrogenase Enzyme System via Ultrafast Two-Dimensional Infrared Spectroscopy
Study on Anion Electrochemical Recognition Based on a Novel Ferrocenyl Compound with Multiple Binding Sites
Quantum Mechanical Studies of Residue-Specific Hydrophobic Interactions in p53−MDM2 Binding
Trapped Water Molecule in the Charge Separation of a Bacterial Reaction Center
Cis−Trans Isomerizations of β-Carotene and Lycopene: A Theoretical Study
Effect of Deuterium Substitution on Electron Transfer at Cytochrome c/SAM Interfaces
Theoretical Investigation of the Role of Strongly Coupled Chlorophyll Dimers in Photoprotection of LHCII
yDNA versus xDNA Pyrimidine Nucleobases: Computational Evidence for Dependence of Duplex Stability on Spacer Location
Kinetic Model for Salt-Induced Protein Deactivation
A Quantum Mechanical/Molecular Mechanical Study on the Catalysis of the Pyridoxal 5′-Phosphate-Dependent Enzyme l-Serine Dehydratase
Light- and pH-Dependent Conformational Changes in Protein Structure Induce Strong Bending of Purple MembranesActive Membranes Studied by Cryo-SEM
Temperature Dependence of Phase Behavior for Ternary Systems Composed of Ionic Liquid + Sucrose + Water
Ultrafast Infrared Spectroscopy of Riboflavin: Dynamics, Electronic Structure, and Vibrational Mode Analysis
Density Functional Theory-Based Conformational Analysis of a Phospholipid Molecule (Dimyristoyl Phosphatidylcholine)
Interface Water Dynamics and Porating Electric Fields for Phospholipid Bilayers
Electronic Properties of Metal-Modified DNA Base Pairs
Structural Characterization of the Intra- and Inter-Repeat Copper Binding Modes within the N-Terminal Region of “Prion Related Protein” (PrP-rel-2) of Zebrafish
Effect of Sol−Gel Confinement on the Structural Dynamics of the Enzyme Bovine Cu,Zn Superoxide Dismutase
Gated Electron Transfer of Yeast Iso-1 Cytochrome c on Self-Assembled Monolayer-Coated Electrodes
Interaction of Metallic Nanoparticles with a Biologically Active Molecule, Dopamine
Effect of the Position and Number of Positive Charges on the Intercalation and Stacking of Porphyrin to Poly[d(G-C)2], Poly[d(A-T)2], and Native DNA
Fluorescence Lifetime Correlation Spectroscopy Reveals Compaction Mechanism of 10 and 49 kbp DNA and Differences between Polycation and Cationic Surfactant
Spin-labeled Stearic Acid Behavior and Perturbations on the Structure of a Gel-Phase-Lipid Bilayer in Water: 5-, 12- and 16-SASL
Free-Energy Landscapes of Proteins in the Presence and Absence of Force
Influence of Sequential Guanidinium Methylation on the Energetics of the Guanidinium···Guanine Dimer and Guanidinium···Guanine···Cytosine Trimer: Implications for the Control of Protein···DNA Interactions by Arginine Methyltransferases
Characterizing Multiple Molecular States in Single-Molecule Multiparameter Fluorescence Detection by Probability Distribution Analysis
Synchronization of Ion Exchangers by an Oscillating Electric Field: Theory
Long-Lived Radical Cations as Model Compounds for the Reactive One-Electron Oxidation Product of Vitamin E
Ultrafast Time-Resolved Carotenoid to-Bacteriochlorophyll Energy Transfer in LH2 Complexes from Photosynthetic Bacteria
Assignment of Polarization-Dependent Peaks in Carbon K-Edge Spectra from Biogenic and Geologic Aragonite
Helix−Coil Transition of a Four-Way DNA Junction Observed by Multiple Fluorescence Parameters
Thermodynamics of Unstable DNA Structures from the Kinetics of the Microgene PCR
Heme Electron Transfer in Peroxidases: The Propionate e-Pathway
Probing the Binding of Propranolol Enantiomers to α1-Acid Glycoprotein with Ligand-Detected NMR Experiments
Reversible Intramolecular Hydrogen Transfer between Protein Cysteine Thiyl Radicals and αC−H Bonds in Insulin: Control of Selectivity by Secondary Structure
Theoretical Study of the Stepwise Protonation of the Dioxo Manganese(V) Porphyrin
Theoretical and Experimental Study on a Self-Assembling Polysaccharide Forming Nanochannels: Static and Dynamic Effects Induced by a Soft Confinement
Variable Scan Rate Cyclic Voltammetry and Theoretical Studies on Tocopherol (Vitamin E) Model Compounds
Detection of Transient Events in the Presence of Background Noise
Distribution Analysis for Single Molecule FRET Measurement
Peptide Hydrolysis Catalyzed by Matrix Metalloproteinase 2: A Computational Study
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