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Journal of Physical Chemistry B - Current Research Articles



Current research articles: Physical Chemistry

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On this page considered journals:



Journal of Physical Chemistry B - Editor: American Chemical Society, ACS

- Soft Condensed Matter and Biophysical Chemistry. The journal publishes studies on macromolecules, and soft matter, surfactants, and membranes, statistical mechanics, thermodynamics, and medium effects, and biophysical chemistry.




Current articles of the journal:



Direct Simulation of Magnetic Resonance Relaxation Rates and Line Shapes from Molecular Trajectories

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2062628

Posted on 25 May 2012 | 11:01 pm


Interfacial Water Facilitates Energy Transfer by Inducing Extended Vibrations in Membrane Lipids

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The Journal of Physical Chemistry B
DOI: 10.1021/jp302478a

Posted on 25 May 2012 | 10:47 pm


Visualization of Two-Dimensional Single Chain Conformations Solubilized in a Miscible Polymer Blend Monolayer by Atomic Force Microscopy

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The Journal of Physical Chemistry B
DOI: 10.1021/jp303063c

Posted on 25 May 2012 | 9:17 pm


Charge Transfer Effects in the GroEL–GroES Chaperonin Tetramer in Solution

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211385e

Posted on 25 May 2012 | 9:15 pm


Role of the Hofmeister Series in the Formation of Ionic-Liquid-Based Aqueous Biphasic Systems

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300874u

Posted on 25 May 2012 | 7:35 pm


Assembly of the Five-Way Junction in the Ribosomal Small Subunit Using Hybrid MD-Go? Simulations

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212614b

Posted on 25 May 2012 | 5:21 pm


Structures and Surface Tensions of Fluids near Solid Surfaces: An Integral Equation Theory Study

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301991k

Posted on 25 May 2012 | 4:03 pm


Redox Properties and Thiol Reactivity of Geldanamycin and its Analogues in Aqueous Solutions

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The Journal of Physical Chemistry B
DOI: 10.1021/jp304206n

Posted on 25 May 2012 | 3:21 pm


Ion Pair Reinforced Semi-Interpenetrating Polymer Network for Direct Methanol Fuel Cell Applications

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2081353

Posted on 24 May 2012 | 10:06 pm


Dynamics of Metastable ?-Hairpin Structures in the Folding Nucleus of Amyloid ?-Protein

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301619v

Posted on 24 May 2012 | 5:33 pm


Carbon–Deuterium Bonds as Probes of Protein Thermal Unfolding

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The Journal of Physical Chemistry B
DOI: 10.1021/jp303521t

Posted on 24 May 2012 | 5:15 pm


Water Model Tuning for Improved Reproduction of Rotational Diffusion and NMR Spectral Density

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301100g

Posted on 24 May 2012 | 1:02 pm


Proton Transport in a Membrane Protein Channel: Two-Dimensional Infrared Spectrum Modeling

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3019827

Posted on 24 May 2012 | 1:02 pm


Behavior of 4-Hydroxynonenal in Phospholipid Membranes

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3044219

Posted on 23 May 2012 | 10:52 pm


Absorption Spectra of Model Single Chains of Conducting Polyaniline

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301814u

Posted on 23 May 2012 | 10:39 pm


Dependence of Pyranose Ring Puckering on Anomeric Configuration: Methyl Idopyranosides

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The Journal of Physical Chemistry B
DOI: 10.1021/jp303183y

Posted on 23 May 2012 | 9:10 pm


Hydrophobic Moments, Shape, and Packing in Disordered Proteins

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3016529

Posted on 23 May 2012 | 5:58 pm


Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex

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The Journal of Physical Chemistry B
DOI: 10.1021/jp210409c

Posted on 23 May 2012 | 4:43 pm


Nitroxide Sensing of a DNA Microenvironment: Mechanistic Insights from EPR Spectroscopy and Molecular Dynamics Simulations

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The Journal of Physical Chemistry B
DOI: 10.1021/jp303303v

Posted on 23 May 2012 | 4:03 pm


Adenosine-Triggered Elimination of Methylene Blue Noncovalently Bound to Immobilized Functional dsDNA-Aptamer Constructs

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The Journal of Physical Chemistry B
DOI: 10.1021/jp302988t

Posted on 23 May 2012 | 3:31 pm


Low-Energy Vibrational Dynamics of Cesium Borate Glasses

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301230s

Posted on 23 May 2012 | 3:17 pm


Elastic Properties of Nanoparticle Monolayer Foams

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301278j

Posted on 23 May 2012 | 3:17 pm


Coherent and Incoherent Interactions between Cofacial ?-Conjugated Oligomer Dimers in Macrocycle Templates

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301903u

Posted on 22 May 2012 | 9:46 pm


Energetics of Mutation-Induced Changes in Potency of Lersivirine against HIV-1 Reverse Transcriptase

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300818c

Posted on 22 May 2012 | 9:39 pm


Initiation of the Reaction of Deamidation in Triosephosphate Isomerase: Investigations by Means of Molecular Dynamics Simulations

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3013305

Posted on 22 May 2012 | 8:30 pm


Size Dependence of Molecular Self-Assembling in Stacked Aggregates. 1. NMR Investigation of Ciprofloxacin Self-Association

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3034215

Posted on 22 May 2012 | 3:18 pm


Oxidation of 3,6-Dioxa-1,8-octanedithiol by Platinum(IV) Anticancer Prodrug and Model Complex: Kinetic and Mechanistic Studies

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The Journal of Physical Chemistry B
DOI: 10.1021/jp302600a

Posted on 22 May 2012 | 2:48 pm


Are Ellipsoids Feasible Micelle Shapes? An Answer Based on a Molecular-Thermodynamic Model of Nonionic Surfactant Micelles

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3012975

Posted on 22 May 2012 | 6:18 am


Formation of Circular Crack Pattern in Deposition Self-Assembled by Drying Nanoparticle Suspension

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301872r

Posted on 21 May 2012 | 9:45 pm


Simple Model of Hydrophobic Hydration

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300743a

Posted on 21 May 2012 | 3:02 pm


SRLS Analysis of 15N Relaxation from Bacteriophage T4 Lysozyme: a Tensorial Perspective That Features Domain Motion

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301999n

Posted on 21 May 2012 | 2:48 pm


Simulations of Temperature and Salt Concentration Effects on bZIP, a Basic Region Leucine Zipper

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300836t

Posted on 21 May 2012 | 12:35 pm


Recognition of Cello-Oligosaccharides by CBM17 from Clostridium cellulovorans: Molecular Dynamics Simulation

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3010647

Posted on 18 May 2012 | 8:48 pm


Comparison of Acid Generation in EUV Lithography Films of Poly(4-hydroxystyrene) (PHS) and Noria Adamantyl Ester (Noria-AD50)

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300677q

Posted on 18 May 2012 | 8:47 pm


Application of a Fluorescent C-Linked Phenolic Purine Adduct for Selective N7-Metalation of DNA

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The Journal of Physical Chemistry B
DOI: 10.1021/jp303138s

Posted on 18 May 2012 | 8:13 pm


Delineation of the Unbinding Pathway of ?-Conotoxin ImI from the ?7 Nicotinic Acetylcholine Receptor

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301352d

Posted on 18 May 2012 | 3:45 pm


Structural Transitions of Transmembrane Helix 6 in the Formation of Metarhodopsin I

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3019183

Posted on 17 May 2012 | 10:24 pm


Mutation-Induced Loop Opening and Energetics for Binding of Tamiflu to Influenza N8 Neuraminidase

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3022612

Posted on 17 May 2012 | 4:43 pm


Substrate Effect on Thermal Stability of Superconductor Thin Films in the Peritectic Melting

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3018343

Posted on 17 May 2012 | 4:43 pm


Unexpected Absorbance Enhancement upon Clustering Dyes in a Polymer Matrix

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The Journal of Physical Chemistry B
DOI: 10.1021/jp208646b

Posted on 17 May 2012 | 4:15 pm


Standard Tensorial Analysis of Local Ordering in Proteins from Residual Dipolar Couplings

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301451v

Posted on 17 May 2012 | 3:48 pm


Oxidative Interaction between OxyHb and ATP: A Spectroscopic Study

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The Journal of Physical Chemistry B
DOI: 10.1021/jp302899t

Posted on 17 May 2012 | 6:35 am


Single-Molecule Spectroscopic Study of Dynamic Nanoscale DNA Bending Behavior of HIV-1 Nucleocapsid Protein

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3018259

Posted on 16 May 2012 | 4:30 pm


Replica Exchange Statistical Temperature Molecular Dynamics Algorithm

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300366j

Posted on 15 May 2012 | 7:50 pm


Insights on How the Activity of an Endoglucanase Is Affected by Physical Properties of Insoluble Celluloses

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3021744

Posted on 11 May 2012 | 4:52 pm


DNA Origami Metallized Site Specifically to Form Electrically Conductive Nanowires

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The Journal of Physical Chemistry B
DOI: 10.1021/jp302316p

Posted on 11 May 2012 | 3:38 pm


The Shadow Map: A General Contact Definition for Capturing the Dynamics of Biomolecular Folding and Function

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300852d

Posted on 11 May 2012 | 2:33 pm


A Novel Approach to the Investigation of Passive Molecular Permeation through Lipid Bilayers from Atomistic Simulations

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301083h

Posted on 10 May 2012 | 8:21 pm


AWSEM-MD: Protein Structure Prediction Using Coarse-Grained Physical Potentials and Bioinformatically Based Local Structure Biasing

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212541y

Posted on 10 May 2012 | 6:28 am


Multimode Charge-Transfer Dynamics of 4-(Dimethylamino)benzonitrile Probed with Ultraviolet Femtosecond Stimulated Raman Spectroscopy

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3020645

Posted on 4 May 2012 | 3:18 pm


Electron Transfer Triggered by Optical Excitation of Phenothiazine-tris(meta-phenylene-ethynylene)-(tricarbonyl)(bpy)(py)rhenium(I)

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3010053

Posted on 3 May 2012 | 7:53 pm


Effect of Bisecting GlcNAc and Core Fucosylation on Conformational Properties of Biantennary Complex-Type N-Glycans in Solution

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212550z

Posted on 2 May 2012 | 8:20 pm


Structural Changes in Bacteriorhodopsin Caused by Two-Photon-Induced Photobleaching

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2112846

Posted on 30 April 2012 | 10:24 pm


Theory of the Molecular Transfer Model for Proteins with Applications to the Folding of the src-SH3 Domain

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211941b

Posted on 30 April 2012 | 8:50 pm


Ion Binding Sites and Their Representations by Reduced Models

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3007365

Posted on 30 April 2012 | 3:05 pm


Multiscale Modeling of the Nanomechanics of Microtubule Protofilaments

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212608f

Posted on 27 April 2012 | 8:51 pm


Evolution of the Potential Energy Landscape with Static Pulling Force for Two Model Proteins

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211806z

Posted on 27 April 2012 | 1:49 pm


Mirror Images as Naturally Competing Conformations in Protein Folding

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212623d

Posted on 26 April 2012 | 5:17 pm


Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212300d

Posted on 26 April 2012 | 12:48 pm


A Comparison of Multiscale Methods for the Analysis of Molecular Dynamics Simulations

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The Journal of Physical Chemistry B
DOI: 10.1021/jp302103t

Posted on 24 April 2012 | 3:44 pm


Experimental and Theoretical Studies on the Binding of Epigallocatechin Gallate to Purified Porcine Gastric Mucin

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212059x

Posted on 23 April 2012 | 9:36 pm


Exploring Protein Flexibility: Incorporating Structural Ensembles From Crystal Structures and Simulation into Virtual Screening Protocols

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3003992

Posted on 23 April 2012 | 4:46 pm


Combining Statistical Potentials with Dynamics-Based Entropies Improves Selection from Protein Decoys and Docking Poses

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2120143

Posted on 23 April 2012 | 4:45 pm


Conformational Dynamics of the Trp-Cage Miniprotein at Its Folding Temperature

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212630y

Posted on 22 April 2012 | 7:05 pm


Unusual Arginine Formations in Protein Function and Assembly: Rings, Strings, and Stacks

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3009699

Posted on 19 April 2012 | 4:19 pm


From Coarse-Grained to Atomic-Level Characterization of Protein Dynamics: Transition State for the Folding of B Domain of Protein A

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301720w

Posted on 19 April 2012 | 3:42 pm


Microsecond Folding Dynamics of Apomyoglobin at Acidic pH

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3012365

Posted on 17 April 2012 | 9:42 pm


Substrate and Enzyme Functional Groups Contribute to Translational Quality Control by Bacterial Prolyl-tRNA Synthetase

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300845h

Posted on 11 April 2012 | 10:35 pm


Structural Dynamics of a Noncovalent Charge Transfer Complex from Femtosecond Stimulated Raman Spectroscopy

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3001306

Posted on 11 April 2012 | 10:13 pm


A Simple Model Predicts Experimental Folding Rates and a Hub-Like Topology

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212332c

Posted on 11 April 2012 | 3:33 pm


Exploring the Solid–Liquid Phase Change of an Adapted Dzugutov Model Using Generalized Replica Exchange Method

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300406c

Posted on 10 April 2012 | 10:45 pm


Domain-Swapped Dimeric Structure of a Stable and Functional De Novo Four-Helix Bundle Protein, WA20

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212438h

Posted on 10 April 2012 | 10:42 pm


Dynamics of Methionine Ligand Rebinding in Cytochrome c

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300783j

Posted on 6 April 2012 | 5:47 pm


Conformational Sampling of Peptides in the Presence of Protein Crowders from AA/CG-Multiscale Simulations

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300129u

Posted on 5 April 2012 | 8:27 pm


Solvent-Induced Infrared Frequency Shifts in Aromatic Nitriles Are Quantitatively Described by the Vibrational Stark Effect

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The Journal of Physical Chemistry B
DOI: 10.1021/jp301054e

Posted on 5 April 2012 | 7:19 pm


fSUB: Normal Mode Analysis with Flexible Substructures

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300312u

Posted on 5 April 2012 | 12:58 pm


Structural and Electrostatic Asymmetry at the Active Site in Typical and Atypical Peroxiredoxin Dimers

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212606k

Posted on 4 April 2012 | 9:46 pm


Quantitative Nanoscale Analysis of IgE-Fc?RI Clustering and Coupling to Early Signaling Proteins

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300197p

Posted on 2 April 2012 | 6:46 am


Protein–Ligand Binding Free Energies from Exhaustive Docking

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212646s

Posted on 2 April 2012 | 6:09 am


Fitting Multimeric Protein Complexes into Electron Microscopy Maps Using 3D Zernike Descriptors

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212612t

Posted on 30 March 2012 | 2:49 pm


Discovering Free Energy Basins for Macromolecular Systems via Guided Multiscale Simulation

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2126174

Posted on 30 March 2012 | 2:27 pm


Folding Models of Mini-Protein FSD-1

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300074f

Posted on 28 March 2012 | 9:34 pm


Catalytic Mechanism of 4-Oxalocrotonate Tautomerase: Significances of Protein–Protein Interactions on Proton Transfer Pathways

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212643j

Posted on 28 March 2012 | 9:32 pm


Assessment of a Rule-Based Virtual Screening Technology (INDDEx) on a Benchmark Data Set

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212084f

Posted on 28 March 2012 | 8:00 pm


A- to B-Form Transition in DNA Between Gold Surfaces

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300877e

Posted on 28 March 2012 | 7:56 pm


Analysis and Elimination of a Bias in Targeted Molecular Dynamics Simulations of Conformational Transitions: Application to Calmodulin

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212634z

Posted on 28 March 2012 | 1:32 pm


On the Morphology of Viral Capsids: Elastic Properties and Buckling Transitions

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300005g

Posted on 27 March 2012 | 9:15 pm


Homodimerization of the PAS-B Domains of Hypoxia-Inducible Factors

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The Journal of Physical Chemistry B
DOI: 10.1021/jp300525n

Posted on 27 March 2012 | 8:24 pm


Nanosystem Self-Assembly Pathways Discovered via All-Atom Multiscale Analysis

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The Journal of Physical Chemistry B
DOI: 10.1021/jp210407e

Posted on 21 March 2012 | 1:23 pm


Simple Liquid Models with Corrected Dielectric Constants

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3002383

Posted on 21 March 2012 | 5:13 am


Comparative Molecular Dynamics Simulation Study of Crystal Environment Effect on Protein Structure

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2125558

Posted on 19 March 2012 | 8:48 pm


Time-Resolved Infrared Absorption Studies of the Solvent-Dependent Photochemistry of ClNO

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211697r

Posted on 19 March 2012 | 8:47 pm


Multilevel X-Pol: A Fragment-Based Method with Mixed Quantum Mechanical Representations of Different Fragments

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212399g

Posted on 19 March 2012 | 5:54 am


Physical Microscopic Model of Proteins Under Force

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212543m

Posted on 15 March 2012 | 10:03 pm


Proteogenic Amino Acids: Chiral and Racemic Crystal Packings and Stabilities

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212094d

Posted on 15 March 2012 | 7:47 pm


The Exciton Origin of the Visible Circular Dichroism Spectrum of Bacteriorhodopsin

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212166k

Posted on 12 March 2012 | 1:29 pm


Empirical Protein Partition Functions

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211794u

Posted on 12 March 2012 | 5:28 am


Multiscale Simulations of the Antimicrobial Peptide Maculatin 1.1: Water Permeation through Disordered Aggregates

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212358y

Posted on 9 March 2012 | 2:47 pm


Space Warping Order Parameters and Symmetry: Application to Multiscale Simulation of Macromolecular Assemblies

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2119247

Posted on 9 March 2012 | 1:11 pm


Multiscale Simulation on a Light-Harvesting Molecular Triad

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212273n

Posted on 6 March 2012 | 8:08 pm


Role of the N-Terminal Domain of the Chaperone ClpX in the Recognition and Degradation of Lambda Phage Protein O

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212024b

Posted on 6 March 2012 | 8:00 pm


Experiments and Comprehensive Simulations of the Formation of a Helical Turn

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211645s

Posted on 6 March 2012 | 1:13 pm


Side Chain Independent Recognition of Aminoacyl Adenylates by the Hint1 Transcription Suppressor

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212457w

Posted on 2 March 2012 | 4:21 pm


Coarse-Grained Modeling of Simple Molecules at Different Resolutions in the Absence of Good Sampling

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2097263

Posted on 2 March 2012 | 4:20 pm


Conformational Distributions and Hydrogen Bonding in Gel and Frozen Lipid Bilayers: A High Frequency Spin-Label ESR Study

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211879s

Posted on 2 March 2012 | 4:11 pm


Structure Prediction of Loops with Fixed and Flexible Stems

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2113957

Posted on 2 March 2012 | 3:30 pm


Ultrafast Photochemistry of Light-Adapted and Dark-Adapted Bacteriorhodopsin: Effects of the Initial Retinal Configuration

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2125284

Posted on 1 March 2012 | 3:15 pm


Translational Diffusion Measurements by Microcoil NMR in Aqueous Solutions of the Fos-10 Detergent-Solubilized Membrane Protein OmpX

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212401w

Posted on 29 February 2012 | 8:19 pm


Limiting Values of the 15N Chemical Shift of the Imidazole Ring of Histidine at High pH

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The Journal of Physical Chemistry B
DOI: 10.1021/jp211196r

Posted on 29 February 2012 | 4:42 pm


Absolute Free Energy of Binding of Avidin/Biotin, Revisited

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212276m

Posted on 27 February 2012 | 11:53 am


A New Multiscale Algorithm and Its Application to Coarse-Grained Peptide Models for Self-Assembly

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2114994

Posted on 22 February 2012 | 3:05 pm


Mimicking Conjugated Polymer Thin-Film Photophysics with a Well-Defined Triblock Copolymer in Solution

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The Journal of Physical Chemistry B
DOI: 10.1021/jp3001256

Posted on 22 February 2012 | 12:51 pm


Optimal Number of Coarse-Grained Sites in Different Components of Large Biomolecular Complexes

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2108895

Posted on 14 February 2012 | 8:22 pm


Dynamics and Calcium Association to the N-Terminal Regulatory Domain of Human Cardiac Troponin C: A Multiscale Computational Study

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The Journal of Physical Chemistry B
DOI: 10.1021/jp212173f

Posted on 14 February 2012 | 12:18 pm


Structures of A?17–42 Trimers in Isolation and with Five Small-Molecule Drugs Using a Hierarchical Computational Procedure

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2118778

Posted on 10 February 2012 | 4:40 pm


Discrete Molecular Dynamics: An Efficient And Versatile Simulation Method For Fine Protein Characterization

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The Journal of Physical Chemistry B
DOI: 10.1021/jp2114576

Posted on 10 February 2012 | 3:40 pm


Molecular Dynamics in Principal Component Space

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The Journal of Physical Chemistry B
DOI: 10.1021/jp209964a

Posted on 8 February 2012 | 12:06 pm


Bromine-Sensitized Solar Photolysis of CO2

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The Journal of Physical Chemistry B
DOI: 10.1021/jp208985y

Posted on 27 January 2012 | 8:41 pm


Folding Simulations of the A and B Domains of Protein G

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The Journal of Physical Chemistry B
DOI: 10.1021/jp210497h

Posted on 24 January 2012 | 4:36 pm


DFT Energy Optimization of a Large Carbohydrate: Cyclomaltohexaicosaose (CA-26)

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The Journal of Physical Chemistry B
DOI: 10.1021/jp208927v

Posted on 23 December 2011 | 8:16 pm


Dissecting the Kinetic Process of Amyloid Fiber Formation through Asymptotic Analysis

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The Journal of Physical Chemistry B
DOI: 10.1021/jp205702u

Posted on 13 December 2011 | 6:02 pm





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