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Preview: The Journal of Physical Chemistry B: Latest Articles (ACS Publications)

The Journal of Physical Chemistry B: Latest Articles (ACS Publications)



latest articles published in The Journal of Physical Chemistry B



Copyright: Copyright 2017 American Chemical Society
 



Directly Probing Intermolecular Structural Change of a Core Fragment of β2-Microglobulin Amyloid Fibrils with Low-Frequency Raman Spectroscopy

Fri, 13 Jan 2017 20:54:45 GMT2017-01-13T20:54:45Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10779
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Ethylcellulose Colloids Incubated in Dilute Solution

Fri, 13 Jan 2017 20:54:10 GMT2017-01-13T20:54:10Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09976
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Mechanism of Unfolding of Human Prion Protein

Fri, 13 Jan 2017 16:15:33 GMT2017-01-13T16:15:33Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11416
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Interactions in Water–Ionic Liquid Mixtures: Comparing Protic and Aprotic Systems

Fri, 13 Jan 2017 16:14:40 GMT2017-01-13T16:14:40Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10562
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Theoretical Insights into the Reaction and Inhibition Mechanism of Metal-Independent Retaining Glycosyltransferase Responsible for Mycothiol Biosynthesis

Fri, 13 Jan 2017 16:14:06 GMT2017-01-13T16:14:06Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10130
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On Atomistic Models for Molecular Oxygen

Fri, 13 Jan 2017 12:43:24 GMT2017-01-13T12:43:24Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11183
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Solvation Dynamics and Proton Transfer in Diethylaminohydroxyflavone

Thu, 12 Jan 2017 21:26:29 GMT2017-01-12T21:26:29Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b12146
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Mesoscopic Correlation Functions in Heterogeneous Ionic Liquids

Thu, 12 Jan 2017 20:23:25 GMT2017-01-12T20:23:25Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11220
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Statistical Ring Catenation under Thermodynamic Control: Should the Jacobson–Stockmayer Cyclization Theory Take into Account Catenane Formation?

Thu, 12 Jan 2017 13:20:05 GMT2017-01-12T13:20:05Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b12323
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Nanometer-Sized Water Bridge and Pull-Off Force in AFM at Different Relative Humidities: Reproducibility Measurement and Model Based on Surface Tension Change

Wed, 11 Jan 2017 20:42:38 GMT2017-01-11T20:42:38Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11108
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Modeling of Transient Absorption Spectra in Exciton–Charge-Transfer Systems

Wed, 11 Jan 2017 19:10:21 GMT2017-01-11T19:10:21Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09858
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Trends in Two- and Three-Body Effects in Multiscale Clusters of Ionic Liquids

Wed, 11 Jan 2017 14:47:08 GMT2017-01-11T14:47:08Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10101
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Nonpolar Solvation Free Energy from Proximal Distribution Functions

Wed, 11 Jan 2017 12:35:19 GMT2017-01-11T12:35:19Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09528
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Role of Ionic Strength and pH in Modulating Thermodynamic Profiles Associated with CO Escape from Rice Nonsymbiotic Hemoglobin 1

Tue, 10 Jan 2017 20:17:14 GMT2017-01-10T20:17:14Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b06933
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Stiff Spring Approximation Revisited: Inertial Effects in Nonequilibrium Trajectories

Tue, 10 Jan 2017 14:20:10 GMT2017-01-10T14:20:10Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08701
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Ferrofluids of Thermotropic Liquid Crystals by DNA–Lipid Hybrids

Mon, 09 Jan 2017 12:12:13 GMT2017-01-09T12:12:13Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09595
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Encapsulation of Antibiotic Levofloxacin in Biocompatible Microemulsion Formulation: Insights from Microstructure Analysis

Mon, 09 Jan 2017 12:12:07 GMT2017-01-09T12:12:07Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09326
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Influence of Fluorination on the Solubilities of Carbon Dioxide, Ethane, and Nitrogen in 1-n-Fluoro-alkyl-3-methylimidazolium Bis(n-fluoroalkylsulfonyl)amide Ionic Liquids

Fri, 06 Jan 2017 05:29:08 GMT2017-01-06T05:29:08Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10301
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Lipid and Peptide Diffusion in Bilayers: The Saffman–Delbrück Model and Periodic Boundary Conditions

Fri, 06 Jan 2017 16:06:23 GMT2017-01-06T16:06:23Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09111
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Tensile Fracture of Molecular Glasses Studied by Differential Scanning Calorimetry: Reduction of Heat Capacity by Lateral Constraint

Fri, 06 Jan 2017 13:09:05 GMT2017-01-06T13:09:05Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11347
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pH-Responsive Mechanistic Switch Regulates the Formation of Dendritic and Fibrillar Nanostructures of a Functional Amyloid

Thu, 05 Jan 2017 05:47:27 GMT2017-01-05T05:47:27Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11281
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N6-Adenosine DNA Methyltransferase from H. pylori 98-10 Strain in Complex with DNA and AdoMet: Structural Insights from in Silico Studies

Thu, 05 Jan 2017 13:36:24 GMT2017-01-05T13:36:24Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08433
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Symmetry-Directed Self-Organization in Peptide Nanoassemblies through Aromatic π–π Interactions

Wed, 04 Jan 2017 20:18:32 GMT2017-01-04T20:18:32Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09474
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Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies

Wed, 04 Jan 2017 19:36:12 GMT2017-01-04T19:36:12Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09198
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Concentration Dependent Self-Assembly of TrK-NGF Receptor Derived Tripeptide: New Insights from Experiment and Computer Simulations

Tue, 03 Jan 2017 15:14:10 GMT2017-01-03T15:14:10Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10511
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Graphene Nanopores for Electronic Recognition of DNA Methylation

Fri, 30 Dec 2016 14:07:00 GMT2016-12-30T14:07:00Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b11040
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Finite Temperature String Method with Umbrella Sampling: Application on a Side Chain Flipping in Mhp1 Transporter

Thu, 29 Dec 2016 13:50:43 GMT2016-12-29T13:50:43Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08568
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Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method

Tue, 27 Dec 2016 14:10:41 GMT2016-12-27T14:10:41Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10055
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CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments

Fri, 23 Dec 2016 15:01:38 GMT2016-12-23T15:01:38Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10568
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What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?

Thu, 22 Dec 2016 20:55:25 GMT2016-12-22T20:55:25Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09733
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Toward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin

Wed, 21 Dec 2016 21:23:30 GMT2016-12-21T21:23:30Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09479
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Mechanical Stability of a High-Affinity Toxin Anchor from the Pathogen Clostridium perfringens

Mon, 19 Dec 2016 15:44:48 GMT2016-12-19T15:44:48Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09593
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Charge Transfer at the Qo-Site of the Cytochrome bc1 Complex Leads to Superoxide Production

Fri, 16 Dec 2016 19:33:41 GMT2016-12-16T19:33:41Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b10403
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Understanding the Phosphorylation Mechanism by Using Quantum Chemical Calculations and Molecular Dynamics Simulations

Thu, 15 Dec 2016 13:27:00 GMT2016-12-15T13:27:00Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09421
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Validity of the Electrodiffusion Model for Calculating Conductance of Simple Ion Channels

Mon, 12 Dec 2016 18:26:53 GMT2016-12-12T18:26:53Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09598
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Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations

Thu, 08 Dec 2016 19:51:52 GMT2016-12-08T19:51:52Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08589
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Conformational Preference of Serogroup B Salmonella O Polysaccharide in Presence and Absence of the Monoclonal Antibody Se155–4

Tue, 06 Dec 2016 15:52:42 GMT2016-12-06T15:52:42Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08955
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Ripping RNA by Force Using Gaussian Network Models

Fri, 02 Dec 2016 15:44:38 GMT2016-12-02T15:44:38Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09402
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Dependence of the Enzymatic Velocity on the Substrate Dissociation Rate

Thu, 01 Dec 2016 18:27:30 GMT2016-12-01T18:27:30Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09055
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The Grateful Infrared: Sequential Protein Structural Changes Resolved by Infrared Difference Spectroscopy

Thu, 01 Dec 2016 14:21:51 GMT2016-12-01T14:21:51Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09222
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A Residue-Resolved Bayesian Approach to Quantitative Interpretation of Hydrogen–Deuterium Exchange from Mass Spectrometry: Application to Characterizing Protein–Ligand Interactions

Thu, 01 Dec 2016 12:11:39 GMT2016-12-01T12:11:39Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09358
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Methodology for the Simulation of Molecular Motors at Different Scales

Wed, 30 Nov 2016 15:08:20 GMT2016-11-30T15:08:20Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09350
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Effects of Active Site Mutations on Specificity of Nucleobase Binding in Human DNA Polymerase η

Wed, 23 Nov 2016 19:03:48 GMT2016-11-23T19:03:48Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09973
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Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues?

Fri, 18 Nov 2016 21:26:20 GMT2016-11-18T21:26:20Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08339
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Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association

Thu, 17 Nov 2016 12:46:01 GMT2016-11-17T12:46:01Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08445
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Primary Fibril Nucleation of Aggregation Prone Tau Fragments PHF6 and PHF6*

Mon, 14 Nov 2016 13:31:36 GMT2016-11-14T13:31:36Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b07045
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Protein Folding and Structure Prediction from the Ground Up II: AAWSEM for α/β Proteins

Fri, 11 Nov 2016 16:33:36 GMT2016-11-11T16:33:36Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09347
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Molecular Dynamics Analysis of 4E-BP2 Protein Fold Stabilization Induced by Phosphorylation

Fri, 04 Nov 2016 13:28:01 GMT2016-11-04T13:28:01Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08597
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Mutations at the Qo Site of the Cytochrome bc1 Complex Strongly Affect Oxygen Binding

Wed, 02 Nov 2016 15:18:23 GMT2016-11-02T15:18:23Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08226
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The Activation of c-Src Tyrosine Kinase: Conformational Transition Pathway and Free Energy Landscape

Fri, 28 Oct 2016 20:27:53 GMT2016-10-28T20:27:53Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08409
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Why Is There a Glass Ceiling for Threading Based Protein Structure Prediction Methods?

Wed, 26 Oct 2016 15:02:01 GMT2016-10-26T15:02:01Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b09517
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Predicted Structures of the Proton-Bound Membrane-Embedded Rotor Rings of the Saccharomyces cerevisiae and Escherichia coli ATP Synthases

Mon, 24 Oct 2016 20:25:06 GMT2016-10-24T20:25:06Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08051
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Origin of pKa Shifts of Internal Lysine Residues in SNase Studied Via Equal-Molar VMMS Simulations in Explicit Water

Tue, 18 Oct 2016 18:27:25 GMT2016-10-18T18:27:25Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08249
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Classical and Quantum Shortcuts to Adiabaticity in a Tilted Piston

Wed, 12 Oct 2016 05:32:11 GMT2016-10-12T05:32:11Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08769
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Dynamics of the Orientational Factor in Fluorescence Resonance Energy Transfer

Mon, 10 Oct 2016 20:53:43 GMT2016-10-10T20:53:43Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b08345
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A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of the Specificity Determining Ω Loop

Fri, 07 Oct 2016 19:58:57 GMT2016-10-07T19:58:57Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b07884
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Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations

Tue, 04 Oct 2016 19:15:39 GMT2016-10-04T19:15:39Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b07142
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Eliminating a Protein Folding Intermediate by Tuning a Local Hydrophobic Contact

Thu, 29 Sep 2016 05:52:40 GMT2016-09-29T05:52:40Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b07250
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Molecular Dynamics of Photosystem II Embedded in the Thylakoid Membrane

Wed, 28 Sep 2016 16:02:52 GMT2016-09-28T16:02:52Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b06865
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Protein Arrangement Effects on the Exciton Dynamics in the PE555 Complex

Wed, 21 Sep 2016 18:03:26 GMT2016-09-21T18:03:26Z

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The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6b05803
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