Results 11 to 20 of about 127,504 (265)
Hypervariability of accessible and inaccessible conformational space of proteins
Current Research in Structural Biology, 2021 Proteins undergo motions in a range of amplitudes, from domain motions to backbone rotations, leading to changes in (φ,ψ) torsion angles and small-scale bond vibrations and angle bending.
Ashraya Ravikumar +1 more
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Molecules, 2001 Benzonorbornadiene 21, 7-spirocyclopropylbenzonorbornadiene 23, 7,7-dimethylbenzonorbornadiene 25, and 7-spirocyclopentylbenzonorbornadiene 27 have been reacted with 3,6-di(2-pyridyl)-s-tetrazine (rate: 21>23>25=27) to form symmetrical 4,5 ...
Peter A. Harrison, Ronald N. Warrener
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El Niño, La Niña, and the global sea level budget [PDF]
Ocean Science, 2016 Previous studies show that nonseasonal variations in global-mean sea level (GMSL) are significantly correlated with El Niño–Southern Oscillation (ENSO).
C. G. Piecuch, K. J. Quinn
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Kinetics of the reaction of 5-substituted orotic acids with diazodiphenylmethane [PDF]
Journal of the Serbian Chemical Society, 2004 Rate konstants for the reaction of eight 5-substituted orotic acids with diazodiphenylmethane (DDM) in dimethylformamide (DMF) were determined at 30 ºC by the known spectrophotometricmethod.
Jovanović Bratislav Ž. +2 more
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ChemistryOpen, 2019 A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of theory ...
Sunel de Kock +2 more
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Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?
ChemistryOpen, 2019 We show that the mutual, through‐space compression of atomic volume experienced by approaching topological atoms causes an exponential increase in the intra‐atomic energy of those atoms, regardless of approach orientation. This insight was obtained using
Benjamin C. B. Symons +4 more
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Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization
Molecules, 2018 Cis/trans isomerization of amide bonds is a key step in a wide range of biological and synthetic processes. Occurring through C-N amide bond rotation, it also coincides with the activation of amides in enzymatic hydrolysis.
Balmukund S. Thakkar +2 more
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Bi-steric mTORC1 inhibitors induce apoptotic cell death in tumor models with hyperactivated mTORC1
The Journal of Clinical Investigation, 2023 The PI3K/AKT/mTOR pathway is commonly dysregulated in cancer. Rapalogs exhibit modest clinical benefit, likely owing to their lack of effects on 4EBP1. We hypothesized that bi-steric mTORC1-selective inhibitors would have greater potential for clinical ...
Heng Du +8 more
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Beilstein Journal of Organic Chemistry, 2011 A broad perspective of various factors influencing alkene selenenylation has been developed by concurrent detailed analysis of key experimental and theoretical data, such as asymmetric induction, stereochemistry, relative reactivities, and comparison ...
Vadim A. Soloshonok, Donna J. Nelson
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Molecules, 2023 A density functional theory (DFT) study combined with the steric maps of buried volume (%VBur) as molecular descriptors and an energy decomposition analysis through the ASM (activation strain model)–NEDA (natural energy decomposition analysis) approach ...
Olga D’Anania +2 more
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