Results 41 to 50 of about 227,309 (250)

(3Z)-3-Benzylidene-1H-benzimidazo[1,2-a]imidazol-2(3H)-one

IUCrData, 2016
In the title compound, C16H11N3O, the molecular conformation is partially determined by an intramolecular C—H...π(ring) interaction. In the crystal, pairwise N—H...N hydrogen bonds form dimers, which associate into stacks through a combination of C—H...O,
Mohammed Rida, Youness El Bakri, El Mokhtar Essassi, Joel T. Mague   +3 more
doaj   +1 more source

Dynamic cluster-scaling in DNA

, 2010
It is shown that the nucleotide sequences in DNA molecules have cluster-scaling properties (discovered for the first time in turbulent processes: Sreenivasan and Bershadskii, 2006, J. Stat. Phys., 125, 1141-1153.).
A. Bershadskii, Ambjornsson, Bershadskii, Blow, Campa, Conti, Cule, Dauxois, Hennig, Hyrien, Jeon, Joyeux, Jun, Krueger, Li, Mesner, Peyrard, Podobnik, Rhind, Saenger, Shechter, Sponer, Sreenivasan, Stanley, Voss, Yang   +25 more
core   +1 more source

Strength of π-Stacking, from Neutral to Cation: Precision Measurement of Binding Energies in an Isolated π-Stacked Dimer [PDF]

, 2018
π-Stacking interactions are ubiquitious across chemistry and biochemistry, impacting areas from organic materials and photovoltaics to biochemistry and DNA.
Cai, Jin-Zhe, Ivanov, Maxim V., Kokkin, Damian, Loman, John, Rathore, Rajendra, Reid, Scott A.   +5 more
core   +4 more sources

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

Pharmaceuticals, 2022
Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within protein and enzyme binding sites ...
Ruben Van Lommel, Tom Bettens, Thomas M. A. Barlow, Jolien Bertouille, Steven Ballet, Frank De Proft   +5 more
doaj   +1 more source

Self-assembly of bi-functional patchy particles with anisotropic shape into polymers chains: theory and simulations

, 2011
Concentrated solutions of short blunt-ended DNA duplexes, down to 6 base pairs, are known to order into the nematic liquid crystal phase. This self-assembly is due to the stacking interactions between the duplex terminals that promotes their aggregation ...
Bellini, Tommaso, De Michele, Cristiano, Sciortino, Francesco   +2 more
core   +1 more source

Recurrent cancer‐associated ERBB4 mutations are transforming and confer resistance to targeted therapies

Molecular Oncology, EarlyView.
We show that the majority of the 18 analyzed recurrent cancer‐associated ERBB4 mutations are transforming. The most potent mutations are activating, co‐operate with other ERBB receptors, and are sensitive to pan‐ERBB inhibitors. Activating ERBB4 mutations also promote therapy resistance in EGFR‐mutant lung cancer.
Veera K. Ojala, Sini Ahonen, Sara Peltola, Aura Tuohisto‐Kokko, Olaya Esparta, Peppi Suominen, Anne Jokilammi, Iman Farahani, Deepankar Chakroborty, Nikol Dibus, Steffen Boettcher, Tomi T. Airenne, Mark S. Johnson, Lisa D. Eli, Klaus Elenius, Kari J. Kurppa   +15 more
wiley   +1 more source

Competition of Dzyaloshinskii-Moriya and higher-order exchange interactions in Rh/Fe atomic bilayers on Ir(111)

, 2018
Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh/Fe atomic bilayers on Ir(111).
Dupé, Bertrand, Heinze, Stefan, Hoffmann, Markus, Kubetzka, André, Meyer, Sebastian, Pralow, Henning, Romming, Niklas, von Bergmann, Kirsten, von Malottki, Stephan, Wiesendanger, Roland   +9 more
core   +1 more source

Peroxidasin enables melanoma immune escape by inhibiting natural killer cell cytotoxicity

Molecular Oncology, EarlyView.
Peroxidasin (PXDN) is secreted by melanoma cells and binds the NK cell receptor NKG2D, thereby suppressing NK cell activation and cytotoxicity. PXDN depletion restores NKG2D signaling and enables effective NK cell–mediated melanoma killing. These findings identify PXDN as a previously unrecognized immune evasion factor and a potential target to improve
Hsu‐Min Sung, David Bickel, Lena C. M. Krause, Daria Ezeriņa, Christian Ickes, Julian Wojtachnia, Christine S. Gibhardt, Magdalena Shumanska, Khadija Wahni, Andrea Paluschkiwitz, Julia Malo Pueyo, Ekaterina Baranova, Wim Vranken, Hedwig Stanisz, Ioana Stejerean‐Todoran, Michael P. Schön, Joris Messens, Ivan Bogeski   +17 more
wiley   +1 more source

1-Benzyl-3-methylquinoxalin-2(1H)-one

IUCrData, 2018
The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions.
Youssef Ramli, Youness El Bakri, L'houssaine El Ghayati, El Mokhtar Essassi, Joel T. Mague   +4 more
doaj   +1 more source