Journal of Physical Chemistry B

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Journal of Physical Chemistry B Journal

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The Site of Azido Substitution in a Pyrimidine Nucleobase Dictates the Type of Nitrogen-Centered Radical Formed after Dissociative Electron Attachment. 129:8115-8126. 2025
Tables Turned-Structural Mechanisms of Target-Induced miRNA Destabilization. 129:5166-5175. 2025
Ebola Virus Matrix Protein VP40 Single Mutations G198R and G201R Significantly Enhance Plasma Membrane Localization. 128:11335-11344. 2024
Gas-Phase Structures of Fucosylated Oligosaccharides: Alkali Metal and Halogen Influences. 128:8869-8877. 2024
Elucidating Residue-Level Determinants Affecting Dimerization of Ebola Virus Matrix Protein Using High-Throughput Site Saturation Mutagenesis and Biophysical Approaches. 127:6449-6461. 2023
Pathways of the Dissociative Electron Attachment Observed in 5-and 6-Azidomethyluracil Nucleosides: Nitrogen (N2) Elimination vs Azide Anion (N3-) Elimination. 127:1563-1571. 2023
Conformational Dynamics of mCherry Variants: A Link between Side-Chain Motions and Fluorescence Brightness. 127:52-61. 2023
Structure-Property-Activity Relationships in Carbon Dots. 126:10777-10796. 2022
Structures and Dynamics of Anionic Lipoprotein Nanodiscs. 126:2850-2862. 2022
Structural and Dynamical Differences in the Spike Protein RBD in the SARS-CoV-2 Variants B.1.1.7 and B.1.351. 125:7101-7107. 2021
Structural Heterogeneity of Human Histone H2A.1. 125:4977-4986. 2021
Site of Azido Substitution in the Sugar Moiety of Azidopyrimidine Nucleosides Influences the Reactivity of Aminyl Radicals Formed by Dissociative Electron Attachment. 124:11357-11370. 2020
Following Structural Changes by Thermal Denaturation Using Trapped Ion Mobility Spectrometry-Mass Spectrometry. 124:6257-6265. 2020
Conformational Flexibility of the Protein-Protein Interfaces of the Ebola Virus VP40 Structural Matrix Filament. 123:9045-9053. 2019
Exploring the Conformational Space of Growth-Hormone-Releasing Hormone Analogues Using Dopant Assisted Trapped Ion Mobility Spectrometry Mass Spectrometry. 123:6169-6177. 2019
Proximal Pocket Controls Alkene Oxidation Selectivity of Cytochrome P450 and Chloroperoxidase toward Small, Nonpolar Substrates. 122:7828-7838. 2018
Differentiating Parallel and Antiparallel DNA Duplexes in the Gas Phase Using Trapped Ion Mobility Spectrometry. 122:6855-6861. 2018
In Silico Investigations of Calcium Phosphate Mineralization in Extracellular Vesicles. 122:3782-3789. 2018
¹⁹F NMR Characterization of the Encapsulation of Emerging Perfluoroethercarboxylic Acids by Cyclodextrins. 121:8359-8366. 2017
Crystallization Temperature Dependence of Cavitation and Plastic Flow in the Tensile Deformation of Poly(ε-caprolactone). 121:6673-6684. 2017
Prehydrated One-Electron Attachment to Azido-Modified Pentofuranoses: Aminyl Radical Formation, Rapid H-Atom Transfer, and Subsequent Ring Opening. 121:4968-4980. 2017
Role of Ionic Strength and pH in Modulating Thermodynamic Profiles Associated with CO Escape from Rice Nonsymbiotic Hemoglobin 1. 121:351-364. 2017
Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. 120:4867-4877. 2016
Chloroperoxidase-Catalyzed Epoxidation of Cis-β-Methylstyrene: NH-S Hydrogen Bonds and Proximal Helix Dipole Change the Catalytic Mechanism and Significantly Lower the Reaction Barrier. 119:14350-14363. 2015
The Role of the Interdomain Interactions on RfaH Dynamics and Conformational Transformation. 119:12750-12759. 2015
Proximal Pocket Hydrogen Bonds Significantly Influence the Mechanism of Chloroperoxidase Compound I Formation. 119:12590-12602. 2015
Molecular Dynamics Investigations of the α-Helix to β-Barrel Conformational Transformation in the RfaH Transcription Factor. 118:5101-5108. 2014
Hydrogen Bond Flexibility Correlates with Stokes Shift in mPlum Variants. 118:2940-2948. 2014
Exploring the Diffusion of Molecular Oxygen in the Red Fluorescent Protein mCherry Using Explicit Oxygen Molecular Dynamics Simulations. 117:2247-2253. 2013
Chloroperoxidase-Catalyzed Epoxidation of cis-β-Methylstyrene: Distal Pocket Flexibility Tunes Catalytic Reactivity. 116:12905-12914. 2012
Exploring Structural and Optical Properties of Fluorescent Proteins by Squeezing: Modeling High-Pressure Effects on the mStrawberry and mCherry Red Fluorescent Proteins. 116:12426-12440. 2012
Charybdotoxin and margatoxin acting on the human voltage-gated potassium channel h Kv1.3 and its H399N mutant: An experimental and computational comparison. 116:5132-5140. 2012
Charybdotoxin unbinding from the mKv1.3 potassium channel: A combined computational and experimental study. 115:11490-11500. 2011
Effect of the Medium on Intramolecular H-Atom Tunneling: Cis-Trans Conversion of Formic Acid in Solid Matrixes of Noble Gases. 114:17102-17112. 2010
Molecular basis of the selectivity of the immunoproteasome catalytic subunit LMP2-specific inhibitor revealed by molecular modeling and dynamics simulations. 114:12333-12339. 2010
Free Energy Landscape of the Retinol/Serum Retinol Binding Protein Complex: A Biological Host-Guest System. 114:11315-11322. 2010
Stabilization of Native and Non-native Structures by Salt Bridges in a Lattice Model of the GCN4 Leucine Dimer. 114:796-803. 2010
Molecular Oxygen Activation and Proton Transfer Mechanisms in Lanosterol 14α-Demethylase Catalysis. 113:8170-8182. 2009
Characterization of carbon monoxide photodissociation from Fe^IILPO with photoacoustic calorimetry. 110:24165-24170. 2006
Growth and structure of carbon nanotube Y-junctions. 110:23694-23700. 2006
Growth and structure of carbon nanotube Y-junctions. 110:23694-23700. 2006
Modeling of folding and unfolding mechanisms in alanine-based α-helical polypeptides. 110:20555-20561. 2006
Structural refinement of the high-pressure phase of aluminum trihydroxide:: In-situ high-pressure angle dispersive synchrotron X-ray diffraction and theoretical studies. 109:8857-8860. 2005
Scanning electrochemical microscopy. 51. Studies of self-assembled monolayers of DNA in the absence and presence of metal ions. 109:5193-5198. 2005
Resonance Raman studies of xanthine oxidase: The reduced enzyme - Product complex with violapterin. 109:3023-3031. 2005
Electrochemical and surface study of ferrocenoyl oligopeptides. 108:704-714. 2004
Electrochemical investigations of M-DNA self-assembled monolayers on gold electrodes. 107:2291-2296. 2003
Design of a membrane fluorescent sensor based on photo-cross-linked PEG hydrogel. 107:483-488. 2003

International Standard Serial Number (ISSN)

1520-6106

Electronic International Standard Serial Number (EISSN)

1520-5207