Results 21 to 30 of about 153,560 (299)
Frontiers in Molecular Biosciences, 2020 Understanding the mechanisms that trigger chromatin compaction, its patterns, and the factors they depend on, is a fundamental and still open question in Biology.
Artemi Bendandi +6 more
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Molecules, 2021 There are two molecular processes that are essential for living bodies to maintain their life: the molecular recognition, and the self-organization or self-assembly.
Masatake Sugita +4 more
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Octanol/water distribution coefficients of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates: Comparison of the IEFPCM-UFF, CPCM, and SMD solvation models [PDF]
, 2010 The octanol/water distribution coefficients (log D~ow~) of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates (PFSAs) were calculated using the M062X/6-311++G(d,p) and MP2/6-311++G(d,p)//M062X/6-311++G(d,p) levels of theory and the IEFPCM-UFF, CPCM, and ...
Kaya Forest, Sierra Rayne
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Gradient models in molecular biophysics: progress, challenges, opportunities
Journal of the Mechanical Behavior of Materials, 2013 In the interest of developing a bridge between researchers modeling materials and those modeling biological molecules, we survey recent progress in developing nonlocal-dielectric continuum models for studying the behavior of proteins and nucleic acids ...
Bardhan Jaydeep P.
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Pharmaceutics, 2018 Meta-aminobenzoic acid, an important model system in the study of polymorphism and crystallization of active pharmaceutical ingredients, exist in water in both the nonionic (mABA) and zwitterionic (mABA±) forms.
Etienne Gaines, Devis Di Tommaso
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Kamlet–Taft Solvation Parameters of Solvate Ionic Liquids
ChemPhysChem, 2016 AbstractThe Kamlet–Taft solvent parameters of solvate ionic liquids (SILs) prepared from lithium salts with glyme and glycol ligands are determined. The dipolarity/polarisibilities (π*) are high, similar to those found in conventional ionic liquids. The H‐bond basicities (β) depend strongly on the anion.
Dr Andrew Dolan +3 more
openaire +4 more sources
Aqueous titanium redox flow batteries—State-of-the-art and future potential
Frontiers in Energy Research, 2022 Market-driven deployment of inexpensive (but intermittent) renewable energy sources, such as wind and solar, in the electric power grid necessitates grid-stabilization through energy storage systems Redox flow batteries (RFBs), with their rated power and
Sheikh Imran Uddin Ahmed +5 more
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1/f spectrum and memory function analysis of solvation dynamics in a room-temperature ionic liquid
, 2008 To understand the non-exponential relaxation associated with solvation dynamics in the ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate, we study power spectra of the fluctuating Franck-Condon energy gap of a diatomic probe solute via ...
Daun Jeong +9 more
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Influence of the solvent on the stability of bis(terpyridine) structures on graphite
Beilstein Journal of Nanotechnology, 2013 The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations.
Daniela Künzel, Axel Groß
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Frontiers in Molecular Biosciences, 2018 The relevance of water molecules for the recognition and the interaction of biomolecules is widely appreciated. In this paper we address the role that water molecules associated to protein complexes play for the functional relevance of residues by ...
Guillaume Brysbaert +2 more
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