Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.122, No.29 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (26 articles)

7191 - 7200	ColDock: Concentrated Ligand Docking with All-Atom Molecular Dynamics Simulation Takemura K, Sato C, Kitao A
7201 - 7218	Green Reduced Graphene Oxide Toughened Semi-IPN Monolith Hydrogel as Dual Responsive Drug Release System: Rheological, Physicomechanical, and Electrical Evaluations Ganguly S, Das P, Maity PP, Mondal S, Ghosh S, Dhara S, Das NC
7219 - 7232	Investigating Polyoxometalate-Protein Interactions at Chemically Distinct Binding Sites Paul TJ, Parac-Vogt TN, Quinonero D, Prabhakar R
7233 - 7242	Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid Matsui T, Yamamoto K, Fujita T, Morihashi K
7243 - 7252	Copper Binding Induces Polymorphism in Amyloid-beta Peptide: Results of Computational Models Pham DQH, Li MS, La Penna G
7253 - 7263	QM/MM Molecular Dynamics Investigations of the Substrate Binding of Leucotriene A4 Hydrolase: Implication for the Catalytic Mechanism Mu X, Xu DG
7264 - 7276	Equilibration Dependence of Fucoxanthin S-1 and ICT Signatures on Polarity, Proticity, and Temperature by Multipulse Femtosecond Absorption Spectroscopy West RG, Fuciman M, Staleva-Musto H, Sebelik V, Bina D, Durchan M, Kuznetsova V, Polivka T
7277 - 7285	Small Saccharides as a Blanket around Proteins: A Computational Study Pandey HD, Leitner DM
7286 - 7294	Pectin Conformation in Solution Alba K, Bingham RJ, Gunning PA, Wilde PJ, Kontogiorgos V
7295 - 7307	Replica-Based Protein Structure Sampling Methods: Compromising between Explicit and Implicit Solvents Kulke M, Geist N, Moller D, Langel W
7308 - 7318	Multiparametric Sensing of Membrane Bilayer Properties with a Highly Environment-Susceptible Fluorophore Sahu S, Sharma A, Mishra AK
7319 - 7331	Computational Modeling and Validation of Thermally Induced Electrical Capacitance Changes for Lipid Bilayer Membranes Irradiated by Pulsed Lasers Ebtehaj Z, Hatef A, Malekmohammad M, Soltanolkotabi M
7332 - 7339	Effect of Anti-Leishmania Drugs on the Structural and Elastic Properties of Ultradeformable Lipid Membranes Peralta MF, Smith H, Moody D, Tristram-Nagle S, Carrer DC
7340 - 7352	Interactions of Long-Chain Perfluorotelomer Alcohol and Perfluorinated Hydrocarbons with Model Decomposer Membranes Wojcik A, Perczyk P, Wydro P, Flasinski M, Broniatowski M
7353 - 7364	Can Path Integral Molecular Dynamics Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation Vasquez L, Rostkowski M, Gelman F, Dybala-Defratyka A
7365 - 7374	Trehalose in Water Revisited Soper AK, Ricci MA, Bruni F, Rhys NH, McLain SE
7375 - 7384	Cr L-Edge X-ray Absorption Spectroscopy of Cr-III(acac)(3) in Solution with Measured and Calculated Absolute Absorption Cross Sections Kubin M, Guo MY, Ekimova M, Kallman E, Kern J, Yachandra VK, Yano J, Nibbering ETJ, Lundberg M, Wernet P
7385 - 7393	Simulations of 1-Butyl-3-methylimidazolium Tetrafluoroborate plus Acetonitrile Mixtures: Force-Field Validation and Frictional Characteristics Conway B, Uitvlugt C, Maroncelli M
7394 - 7402	Ab Initio Molecular Dynamics Reveal Spectroscopic Siblings and Ion Pairing as New Challenges for Elucidating Prenucleation Aluminum Speciation Pouvreau M, Dembowski M, Clark SB, Reynolds JG, Rosso KM, Schenter GK, Pearce CI, Clark AE
7403 - 7408	Phonon Spectrometric Evaluation of the Solute-Solvent Interface in Solutions of Glycine and Its N-Methylated Derivatives Fang HX, Liu XJ, Sun CQ, Huang YL
7409 - 7415	Molecular Mobility Effect on Magnetic Interactions in All-Organic Paramagnetic Liquid Crystal with Nitroxide Radical as a Hydrogen-Bonding Acceptor Nakagami S, Akita T, Kiyohara D, Uchida Y, Tamura R, Nishiyama N
7416 - 7425	Network Structure and Connectivity in SnO-P2O5 Glasses: Results from 2D P-31 and Sn-119 NMR Spectroscopy Xia YQ, Marple MAT, Hung I, Gan ZH, Sen S
7426 - 7435	Association and Internal Morphology of Self-Assembled HPPhOx/BSA Hybrid Nanoparticles in Aqueous Solutions Papagiannopoulos A, Vlassi E, Pispas S, Houston JE
7436 - 7449	Transferable MARTINI Model of Poly(ethylene Oxide) Grunewald F, Rossi G, de Vries AH, Marrink SJ, Monticelli L
7450 - 7461	Ionic Diffusoosmosis in Nanochannels Grafted with End-Charged Polyelectrolyte Brushes Maheedhara RS, Sachar HS, Jing HY, Das S
7462 - 7462	Theoretical Investigations of the Role of Mutations in Dynamics of Kinesin Motor Proteins (vol 122, pg 4653, 2018) Misiura M, Wang Q, Cheung MS, Kolomeisky AB