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10,556 Newest Publications in journal of physical chemistry b

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Membrane Anchoring of α-Helical Proteins: Role of Tryptophan

11-Jan-2018 | Alan J. Situ; So-Min Kang; Benjamin B. Frey; Woojin An; Chungho Kim; Tobias S. Ulmer, Journal of Physical Chemistry B, 2018

The function of membrane proteins relies on a defined orientation of protein relative to lipid. In apparent correlation to protein anchoring, tryptophan residues are enriched in the lipid headgroup region. To characterize the thermodynamic and structural basis of this relationship in α-helical ...

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Imidazole Nitrogens of Two Histidine Residues Participating in N–H···N Hydrogen Bonds in Protein Structures: Structural Bioinformatics Approach Combined with Quantum Chemical Calculations

11-Jan-2018 | Abhishek Hariharan Iyer; R. N. V. Krishna Deepak; Ramasubbu Sankararamakrishnan, Journal of Physical Chemistry B, 2018

Protein structures are stabilized by different types of hydrogen bonds. However, unlike the DNA double helical structure, the N–H···N type of hydrogen bonds is relatively rare in proteins. N–H···N hydrogen bonds formed by imidazole groups of two histidine residues have not been investigated. We ...

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Path to the Desensitized State of Ligand-Gated Ion Channels: Why Are Inhibitory and Excitatory Receptors Different?

11-Jan-2018 | Robert S. Cantor, Journal of Physical Chemistry B, 2018

The family of pentameric ligand-gated ion channels (pLGICs) includes both inhibitory and excitatory receptors. Electrophysiological methods have explored the time-dependent ion currents induced by their neurotransmitter agonists. Kinetic modeling requires a minimum of three conformational states: ...

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Choline-Based Amino Acid ILs–Collagen Interaction: Enunciating Its Role in Stabilization/Destabilization Phenomena

10-Jan-2018 | Aafiya Tarannum; J. Raghava Rao; N. Nishad Fathima, Journal of Physical Chemistry B, 2018

Given the potential of productive interaction between choline-based amino acid ionic liquids (CAAILs) and collagen, we investigated the role of four CAAILs, viz., choline serinate, threoninate, lysinate, and phenylalaninate, and the changes mediated by them in the structure of collagen at ...

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Choline-Based Amino Acid ILs–Collagen Interaction: Enunciating Its Role in Stabilization/Destabilization Phenomena

10-Jan-2018 | Aafiya Tarannum; J. Raghava Rao; N. Nishad Fathima, Journal of Physical Chemistry B, 2018

Given the potential of productive interaction between choline-based amino acid ionic liquids (CAAILs) and collagen, we investigated the role of four CAAILs, viz., choline serinate, threoninate, lysinate, and phenylalaninate, and the changes mediated by them in the structure of collagen at ...

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Equilibrium between a Droplet and Surrounding Vapor: A Discussion of Finite Size Effects

10-Jan-2018 | Andreas Tröster; Fabian Schmitz; Peter Virnau; Kurt Binder, Journal of Physical Chemistry B, 2018

In a theoretical description of homogeneous nucleation one frequently assumes an “equilibrium” coexistence of a liquid droplet with surrounding vapor of a density exceeding that of a saturated vapor at bulk vapor–liquid two-phase coexistence. Thereby one ignores the caveat that in the ...

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Free-Energy Analysis of Peptide Binding in Lipid Membrane Using All-Atom Molecular Dynamics Simulation Combined with Theory of Solutions

10-Jan-2018 | Tomoko Mizuguchi; Nobuyuki Matubayasi, Journal of Physical Chemistry B, 2018

All-atom molecular dynamics (MD) simulations are performed to examine the stabilities of a variety of binding configurations of alamethicin, a 20-amino-acid amphipathic peptide, in the bilayers of 1-palmitoyl-2-oleoyl phosphatidylcholine (POPC) and 1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine ...

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Specificity versus Processivity in the Sequential Modification of DNA: A Study of DNA Adenine Methyltransferase

10-Jan-2018 | Itay Barel; Brigitte Naughton; Norbert O. Reich; Frank L. H. Brown, Journal of Physical Chemistry B, 2018

A detailed analysis is carried out on both published experimental results and new experiments for the methylation kinetics of two-site DNA substrates (with site separations between 100 and 800 bp) catalyzed by bacterial DNA adenine methyltransferase (Dam). A previously reported rate enhancement ...

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Interfacial Tension of Phase-Separated Polydisperse Mixed Polymer Solutions

09-Jan-2018 | Mark Vis; Edgar M. Blokhuis; Ben H. Erné; R. Hans Tromp; Henk N. W. Lekkerkerker, Journal of Physical Chemistry B, 2018

Aqueous two-phase systems provide oil-free alternatives in the formulation of emulsions in food and other applications. Theoretical interpretation of measurements on such systems, however, is complicated by the high polydispersity of the polymers. Here, phase diagrams of demixing and interfacial ...

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Interfacial Tension of Phase-Separated Polydisperse Mixed Polymer Solutions

09-Jan-2018 | Mark Vis; Edgar M. Blokhuis; Ben H. Erné; R. Hans Tromp; Henk N. W. Lekkerkerker, Journal of Physical Chemistry B, 2018

Aqueous two-phase systems provide oil-free alternatives in the formulation of emulsions in food and other applications. Theoretical interpretation of measurements on such systems, however, is complicated by the high polydispersity of the polymers. Here, phase diagrams of demixing and interfacial ...

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