Results 81 to 90 of about 7,750,015 (291)

Role of electron-electron interactions in chiral 2DEGs [PDF]

open access: yes, 2008
textIn this thesis we study the effect of electron-electron interactions on Chiral two-dimensional electron gas (C2DEGs). C2DEGs are a very good description of the low-energy electronic properties of single layer and multilayer graphene systems.
Barlas, Yafis
core  

Invisible but not inaccessible—Revealing transient oligomers formed by intrinsically disordered proteins with solution NMR and complementary methods

open access: yesFEBS Letters, EarlyView.
Transient oligomers formed by intrinsically disordered proteins may be ‘invisible’ to direct detection yet remain accessible to solution NMR through equilibrium‐exchange measurements and pressure‐jump experiments. Complementary methods report on mass, stoichiometry, selected distance distributions, morphology, and internal packing.
Martin D. Gelenter, Ad Bax
wiley   +1 more source

Using the electron localization function to correct for confinement physics in semi-local density functional theory

open access: yesThe Journal of Chemical Physics, 2014
We have previously proposed that further improved functionals for density functional theory can be constructed based on the Armiento-Mattsson subsystem functional scheme if, in addition to the uniform electron gas and surface models used in the Armiento-Mattsson 2005 functional, a model for the strongly confined electron gas is also added.
Hao, Feng   +2 more
openaire   +4 more sources

A mechanism of protein localization : the signal hypothesis and bacteria [PDF]

open access: yes, 1980
We are studying the molecular mechanism of cellular protein localization. The availability of genetic techniques, such as gene fusion in Escherichia coli, has made this problem particularly amenable to study in this prokaryote.
Hall, M. N.   +5 more
core   +1 more source

Going viral − Virus‐targeting nanobodies for research, diagnostics and therapy

open access: yesFEBS Letters, EarlyView.
The increasing prevalence of viral diseases represents a major threat for global human health. Nanobodies, small binding fragments derived from camelid heavy‐chain antibodies, offer versatile tools for viral research, diagnostics, and antiviral therapy.
Domenic Ebert, Ulrich Rothbauer
wiley   +1 more source

Computational study on molecular structure, vibrational and electronic properties of a novel Schiff base: Benzyl2-(4-(bis(2-chloroethyl)benzylidene) hydrazinecarbodithioate

open access: yesKuwait Journal of Science, 2017
The present study reports a novel Schiff base ‘Benzyl2-(4-(bis(2 chloroethyl)amino)benzylidene)hydrazinecarbodithioate’ and its characterization by infra red (IR), nuclear magnetic resonance (NMR), mass spectral methods with its density functional ...
Bhuvanendra Singh   +3 more
doaj  

Relative Interacting Atomic Energy Analysis of the Anomeric Effect in Cyclic and Acyclic O–C–X Systems

open access: yesMolecules
The conformational preferences of 2-substituted cyclic and acyclic ethers, arising from the anomeric effect, have been analyzed using the Relative Interacting Atomic Energy (RIAE) analysis within Molecular Electron Density Theory framework, using the M06-
Luis R. Domingo   +2 more
doaj   +1 more source

Sigma–pi separation of the electron localization function and aromaticity

open access: yesThe Journal of Chemical Physics, 2004
The electron localization function (ELF) has been separated in its sigma and pi components. The topological analysis of the new ELFσ and ELFπ functions has been used to quantify the concept of resonance. The highest bifurcation values of these functions describe in a correct way the aromaticity of classical ring molecules and some new aromatic ...
Santos, J. C.   +3 more
openaire   +6 more sources

Soft motions encoded by the fold and mediated by conserved hinge sites drive V‐ATPase allosteric machinery and autoinhibition

open access: yesFEBS Letters, EarlyView.
Vacuolar H+‐ATPase (V‐ATPase) is a multisubunit rotary proton pump that acidifies intracellular compartments. Using elastic network models, we identified conserved hinge residues that govern its large‐scale functional motions. We show that intrinsically encoded ‘soft modes’ drive critical functional transitions, including rotary catalysis and ...
Diksha Parwana   +3 more
wiley   +1 more source

How structural disorder and polyelectrolyte properties of prothymosin α enable its large interactome

open access: yesFEBS Letters, EarlyView.
In this review, complexes of the fully disordered and highly negatively charged prothymosin α are collected, described, and discussed. Linked to its poly‐electrostatic character, prothymosin α engages a large interactome through multiple different binding modes ranging from fully disordered complexes to short linear motif (SLiM)‐driven interactions ...
Ketty C. Tamburrini   +3 more
wiley   +1 more source

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