Results 11 to 20 of about 766,908 (329)
Reversible mechanical control of molecular conformation. [PDF]
Commun Chem, 2020 Controlling molecular conformation through macroscopic mechanical stimulus may have applications in chiroptical devices, but achieving this in a 3D material is challenging. Now, a quantitative relationship between stretching of an elastomer and reversible conformational changes of a crosslinked molecule has been established.
Bissette AJ.
europepmc +4 more sources
CONFORMATIONAL TRANSITIONS IN MOLECULAR SYSTEMS [PDF]
Path Integrals — New Trends and Perspectives, 2008 Proteins are the "work horses" in biological systems. In almost all functions specific proteins are involved. They control molecular transport processes, stabilize the cell structure, enzymatically catalyze chemical reactions; others act as molecular motors in the complex machinery of molecular synthetization processes.
Bachmann, Michael, Janke, Wolfhard
openaire +2 more sources
Tetrabutylammonium tris(methylsulfanylmethyl)phenylborate [PDF]
, 2009 In the title molecular salt, C16H36N+·C12H20BS3-, three of the four n-butyl chains show a trans conformation, whereas the fourth has the C—C—C—C torsion angle in a gauche conformation [-77.8 (5)°]. In the crystal, molecules are packed in layers parallel
Bolte, Michael +2 more
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Theoretical Study of Some Nitrososulfamide Compounds with Antitumor Activity
Molecules, 2004 The lowest-energy conformations of four 2-chloroethylnitrososulfamides were determined using the MM+ molecular mechanics method as implemented in Hyperchem 6.0. Some of the calculated structural parameters, angles and bonds lengths were compared with the
Madi Fatiha +2 more
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Acta Crystallographica Section E: Crystallographic Communications, 2020 Five examples each of 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-en-1-ones and the corresponding 1-(4-azidophenyl)-3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-ones have been synthesized in a ...
Haruvegowda Kiran Kumar +6 more
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Molecular Actuators in Action: Electron-Transfer-Induced Conformation Transformation in Cofacially Arrayed Polyfluorenes [PDF]
, 2018 There is much current interest in the design of molecular actuators, which undergo reversible, controlled motion in response to an external stimulus (light, heat, oxidation, etc.).
Cai, Sheng +7 more
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Conformational Plasticity of HLA-B27 Molecules Correlates Inversely With Efficiency of Negative T Cell Selection [PDF]
, 2020 The development of autoimmune disorders is incompletely understood. Inefficient thymic T cell selection against self-peptides presented by major histocompatibility antigens (HLA in humans) may contribute to the emergence of auto-reactive effector cells ...
Loll, Bernhard +3 more
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Crystals, 2021 Conformational flexibility in molecules can give rise to a range of functional group terminations at crystal surfaces and dynamic disorder in the bulk.
Anuradha R. Pallipurath +4 more
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Identifying the protein folding nucleus using molecular dynamics [PDF]
, 2000 Molecular dynamics simulations of folding in an off-lattice protein model reveal a nucleation scenario, in which a few well-defined contacts are formed with high probability in the transition state ensemble of conformations.
Buldyrev, Sergey V. +3 more
core +1 more source
The Rotational Barrier in Ethane: A Molecular Orbital Study
Molecules, 2012 The energy change on each Occupied Molecular Orbital as a function of rotation about the C-C bond in ethane was studied using the B3LYP, mPWB95 functional and MP2 methods with different basis sets.
Gonzalo J. Mena-Rejón +3 more
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