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Stability and isomerization of complexes formed by metal ions and cytosine isomers in aqueous phase.
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- Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3447, doi. 10.1007/s00894-013-1850-8
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- Article
Effect of the methylation of uracil and/or glycine on their mutual interaction.
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- Journal of Molecular Modeling, 2012, v. 18, n. 2, p. 791, doi. 10.1007/s00894-011-1101-9
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- Article
Solvation counteracts coulombic repulsion in the binding of two cations to a model hexapeptide.
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- Journal of Molecular Modeling, 2012, v. 18, n. 1, p. 53, doi. 10.1007/s00894-011-1026-3
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- Article
An Original Monomer Sampling from a Ready‐Made Aβ<sub>42</sub> NMR Fibril Suggests a Turn‐β‐Strand Synergetic Seeding Mechanism.
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- ChemPhysChem, 2019, v. 20, n. 12, p. 1649, doi. 10.1002/cphc.201801137
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- Article
Effect of pH on Aβ<sub>42</sub> Monomer and Fibril‐like Oligomers—Decoding in Silico of the Roles of p<italic>K</italic> Values of Charged Residues.
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- ChemPhysChem, 2018, v. 19, n. 9, p. 1103, doi. 10.1002/cphc.201701384
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- Article
Two novel phosphorus/potassium-degradation bacteria: Bacillus aerophilus SD-1/Bacillus altitudinis SD-3 and their application in two-stage composting of corncob residue.
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- Archives of Microbiology, 2023, v. 205, n. 1, p. 1, doi. 10.1007/s00203-022-03357-z
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Molecular mechanisms of direct and indirect interplay between amyloid β42 oligomer and characteristic lipids.
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- ChemPhysMater, 2022, v. 1, n. 4, p. 310, doi. 10.1016/j.chphma.2021.12.002
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- Article
A theoretical prediction on the ground-state complexes bound by metal ions to thymine base isomers.
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 2, p. 126, doi. 10.1002/poc.1881
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- Article
Geometry and binding properties of different multiple-state glycine-Fe<sup>+</sup>/Fe<sup>2+</sup> complexes.
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- Journal of Physical Organic Chemistry, 2005, v. 18, n. 1, p. 26, doi. 10.1002/poc.808
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- Article
Stability analysis of the neutral noble gas molecules FNgX and their anions FNgX<sup>-</sup> (Ng = He, Ar, Kr; X = O, S).
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 4, p. 782, doi. 10.1002/qua.21895
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- Article
Trigraphene and its Derivates: A Novel Carbon Allotrope.
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- Bulletin of the Korean Chemical Society, 2018, v. 39, n. 11, p. 1279, doi. 10.1002/bkcs.11588
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- Article
Bead-Level Characterization of Early-Stage Amyloid β<sub>42</sub> Aggregates: Nuclei and Ionic Concentration Effects.
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- Chemistry - A European Journal, 2017, v. 23, n. 64, p. 16257, doi. 10.1002/chem.201702388
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- Article
Inhibitory Mechanisms of Three Modified Small Molecules on the Misfolding of Cu<sup>2+</sup>‐Aβ42 Complex in Different pH Conditions: Insights from MD/QM Studies.
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- ChemistrySelect, 2022, v. 7, n. 37, p. 1, doi. 10.1002/slct.202202217
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- Article
Intramolecular proton transfer induced by divalent alkali earth metal cation in the gas state.
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- International Journal of Quantum Chemistry, 2003, v. 94, n. 4, p. 205, doi. 10.1002/qua.10640
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- Article
Effects of lipids on the activity and structural dynamics of gamma secretase: A study using coarse-grained molecular dynamics simulations.
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- ChemPhysMater, 2024, v. 3, n. 3, p. 303, doi. 10.1016/j.chphma.2024.03.005
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- Article
The Hygroscopy of Amino Acid Ionic Liquids in Aqueous Solution: a Quantum Chemistry Study.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 11, p. 1629, doi. 10.1515/zpch-2015-0685
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- Article
Structural and Material Properties of Amyloid Aβ<sub>40/42</sub> Fibrils.
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- ChemPhysChem, 2016, v. 17, n. 16, p. 2558, doi. 10.1002/cphc.201600256
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- Article
Molecular Simulations of Human and Mouse Aβ<sub>1-16</sub> at Different pH Values: Structural Characteristics toward Understanding Cu<sup>2+</sup>-Coordinated Amyloid Beta Spheres.
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- ChemPhysChem, 2016, v. 17, n. 11, p. 1656, doi. 10.1002/cphc.201600004
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- Article
Specific interaction from different Aβ<sub>42</sub> peptide fragments to α7nAChR-A study of molecular dynamics simulation.
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- Journal of Molecular Modeling, 2024, v. 30, n. 7, p. 1, doi. 10.1007/s00894-024-06032-w
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Recognition of Aβ oligomer by LilrB2 acceptor: a tetracoordinated zipper mechanism.
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- Journal of Molecular Modeling, 2022, v. 28, n. 10, p. 1, doi. 10.1007/s00894-022-05315-4
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Mechanistic insight into the tautomerization of histidine initiated by water-catalyzed N–H and C–H cleavages.
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- Journal of Molecular Modeling, 2022, v. 28, n. 10, p. 1, doi. 10.1007/s00894-022-05222-8
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Amine-functionalized ionic liquids for CO2 capture.
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- Journal of Molecular Modeling, 2020, v. 26, n. 12, p. 1, doi. 10.1007/s00894-020-04563-6
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Theoretical insights into the properties of amino acid ionic liquids in aqueous solution.
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- Journal of Molecular Modeling, 2016, v. 22, n. 7, p. 1, doi. 10.1007/s00894-016-3009-x
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Synergistic effect of acetonedicarboxylic acid diethyl ester and calcium/zinc stearates on poly(vinyl chloride) thermal stability.
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- Journal of Vinyl & Additive Technology, 2015, v. 21, n. 3, p. 228, doi. 10.1002/vnl.21392
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- Article