Zobrazeno 1 - 10
of 44
pro vyhledávání: '"Halima Mouhib"'
Autor:
Juami Hermine Mariama van Gils, Erik van Dijk, Alessia Peduzzo, Alexander Hofmann, Nicola Vettore, Marie P Schützmann, Georg Groth, Halima Mouhib, Daniel E Otzen, Alexander K Buell, Sanne Abeln
Publikováno v:
PLoS Computational Biology, Vol 16, Iss 5, p e1007767 (2020)
Many proteins have the potential to aggregate into amyloid fibrils, protein polymers associated with a wide range of human disorders such as Alzheimer's and Parkinson's disease. The thermodynamic stability of amyloid fibrils, in contrast to that of f
Externí odkaz:
https://doaj.org/article/5afd982d287348af94862bd4c9dee1a0
Publikováno v:
Sutikdja, L W, Nguyen, H V L, Jelisavac, D, Stahl, W & Mouhib, H 2023, ' Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate ', Physical Chemistry Chemical Physics, vol. 25, no. 11, pp. 7688-7696 . https://doi.org/10.1039/d2cp05774c
Physical Chemistry Chemical Physics, 25(11), 7688-7696. The Royal Society of Chemistry
Physical Chemistry Chemical Physics, 25(11), 7688-7696. The Royal Society of Chemistry
High-resolution spectroscopy techniques play a pivotal role to validate and efficiently benchmark available methods from quantum chemistry. In this work, we analyzed the microwave spectrum of ethyl butyrate within the scope of a systematic investigat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42a6569555946e650f21f46106956300
https://hdl.handle.net/1871.1/815a1369-90b0-4114-92f5-37907005af39
https://hdl.handle.net/1871.1/815a1369-90b0-4114-92f5-37907005af39
Publikováno v:
European Journal of Organic Chemistry. 2019:2643-2652
Publikováno v:
F1000Research. 8:322
Background: The solute carrier (SLC) family of membrane proteins is a large class of transporters for many small molecules that are vital for cellular function. Several pathogenic mutations are reported in the glucose transporter subfamily SLC2, caus
Autor:
Askar Sh. Abdurazakov, Bakhodir Tashkhodjaev, Halima Mouhib, S. Z. Mirzaev, Charos E. Makhmadiyarova, Kambarali K. Turgunov, A. Tojiboev, Burkhon Zh. Elmuradov
Publikováno v:
Acta crystallographica Section B, Structural science, crystal engineering and materials. 77(Pt 3)
The crystal structures of three mackinazolinone derivatives (2-amino-6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-one at room temperature, and 2-nitro-6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-one and N-(11-oxo-6,8,9,11-tetrahydro-7H-pyr
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(47)
Sampling of the vast conformational landscape of organic compounds remains a challenging task in computational chemistry, especially when it comes to the characterization of soft-degrees of freedom and relatively small energy barriers between differe
Publikováno v:
Journal of Molecular Spectroscopy
Journal of Molecular Spectroscopy, Elsevier, 2020, 373, pp.111356. ⟨10.1016/j.jms.2020.111356⟩
Journal of Molecular Spectroscopy, 2020, 373, pp.111356. ⟨10.1016/j.jms.2020.111356⟩
Journal of Molecular Spectroscopy, Elsevier, 2020, 373, pp.111356. ⟨10.1016/j.jms.2020.111356⟩
Journal of Molecular Spectroscopy, 2020, 373, pp.111356. ⟨10.1016/j.jms.2020.111356⟩
International audience; The microwave spectra of methyl n-propyl sulfide, CH3-S-CH2-CH2-CH3, were recorded in the frequency region from 2.0 to 26.5 GHz, revealing three conformers. Quantum chemical calculations were carried out to support experimenta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::baf2afa2340ebdbd6edcec9a43ab655b
https://hal.u-pec.fr/hal-03182495/file/MPS_HAL.pdf
https://hal.u-pec.fr/hal-03182495/file/MPS_HAL.pdf
Autor:
Melanie Schnell, Majdi Hochlaf, Leonardo Baptista, Dzmitry S. Firaha, Giovanni Bistoni, Jens Antony, Hannes C. Gottschalk, David M. Benoit, Kai Leonhard, Leif C. Kröger, Fabian Bohle, Frank Neese, Muthuramalingam Prakash, Alexander A. Auer, Andreas Hansen, Inga S. Ulusoy, Stefan Grimme, Max N. Pereira, Michael E. Harding, Wassja A. Kopp, Christof Holzer, Daniel A. Obenchain, Anja Poblotzki, Georg Jansen, Muneerah Mogren Al-Mogren, Małgorzata Krasowska, Ricardo A. Mata, Martin A. Suhm, Cristobal Perez, Wim Klopper, Mariyam Fatima, Halima Mouhib, Rahma Dahmani
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (16), 18p. ⟨10.1063/5.0004465⟩
The journal of chemical physics, 152 (16), Art.Nr.: 164303
The journal of chemical physics 152(16), 164303 (2020). doi:10.1063/5.0004465
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (16), 18p. ⟨10.1063/5.0004465⟩
The journal of chemical physics, 152 (16), Art.Nr.: 164303
The journal of chemical physics 152(16), 164303 (2020). doi:10.1063/5.0004465
The journal of chemical physics 152(16), 164303 (2020). doi:10.1063/5.0004465
The site-specific first microsolvation step of furan and some of its derivatives with methanol is explored to benchmark the ability of quantum-chemical methods to desc
The site-specific first microsolvation step of furan and some of its derivatives with methanol is explored to benchmark the ability of quantum-chemical methods to desc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ca39704029d6ced139a589797fb672e
Publikováno v:
Molecular Physics
Molecular Physics, Taylor & Francis, 2020, The 26th Colloquium on High-Resolution Molecular Spectroscopy Submit an article Journal homepage, 118 (11), pp.e1728406. ⟨10.1080/00268976.2020.1728406⟩
Molecular Physics, 2020, The 26th Colloquium on High-Resolution Molecular Spectroscopy Submit an article Journal homepage, 118 (11), pp.e1728406. ⟨10.1080/00268976.2020.1728406⟩
Molecular Physics, Taylor & Francis, 2020, The 26th Colloquium on High-Resolution Molecular Spectroscopy Submit an article Journal homepage, 118 (11), pp.e1728406. ⟨10.1080/00268976.2020.1728406⟩
Molecular Physics, 2020, The 26th Colloquium on High-Resolution Molecular Spectroscopy Submit an article Journal homepage, 118 (11), pp.e1728406. ⟨10.1080/00268976.2020.1728406⟩
International audience; We report on the structures of two conformers of 2-thiophenecarboxaldehyde as obtained using a combination of molecular jet Fourier-transform microwave spectroscopy and quantum chemical calculations. The microwave spectrum was
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd5dc9daf09bba91ece7b3d07e1ddcc3
Autor:
Erik van Dijk, Sanne Abeln, Daniel E. Otzen, Halima Mouhib, Juami Hermine Mariama van Gils, Alexander Hofmann, Georg Groth, Marie P. Schützmann, Nicola Vettore, Alessia Peduzzo, Alexander K. Buell
Publikováno v:
Van Gils, J H M, Van Dijk, E, Peduzzo, A, Hofmann, A, Vettore, N, Schützmann, M P, Groth, G, Mouhib, H, Otzen, D E, Buell, A K & Abeln, S 2020, ' The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth ', PLOS Computational Biology, vol. 16, no. 5, e1007767 . https://doi.org/10.1371/journal.pcbi.1007767
van Gils, J H M, van Dijk, E, Peduzzo, A, Hofmann, A, Vettore, N, Schützmann, M P, Groth, G, Mouhib, H, Otzen, D E, Buell, A K & Abeln, S 2020, ' The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth ', PLoS Computational Biology, vol. 16, no. 5, e1007767, pp. 1-25 . https://doi.org/10.1371/journal.pcbi.1007767
PLoS Computational Biology, Vol 16, Iss 5, p e1007767 (2020)
van Gils, J H M, van Dijk, E, Peduzzo, A, Hofmann, A, Vettore, N, Schützmann, M P, Groth, G, Mouhib, H, Otzen, D E, Buell, A K & Abeln, S 2020, ' The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth ', PLOS Computational Biology, vol. 16, no. 5, e1007767 . https://doi.org/10.1371/journal.pcbi.1007767
PLoS Computational Biology, 16(5):e1007767, 1-25. Public Library of Science
PLoS Computational Biology
van Gils, J H M, van Dijk, E, Peduzzo, A, Hofmann, A, Vettore, N, Schützmann, M P, Groth, G, Mouhib, H, Otzen, D E, Buell, A K & Abeln, S 2020, ' The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth ', PLoS Computational Biology, vol. 16, no. 5, e1007767, pp. 1-25 . https://doi.org/10.1371/journal.pcbi.1007767
PLoS Computational Biology, Vol 16, Iss 5, p e1007767 (2020)
van Gils, J H M, van Dijk, E, Peduzzo, A, Hofmann, A, Vettore, N, Schützmann, M P, Groth, G, Mouhib, H, Otzen, D E, Buell, A K & Abeln, S 2020, ' The hydrophobic effect characterises the thermodynamic signature of amyloid fibril growth ', PLOS Computational Biology, vol. 16, no. 5, e1007767 . https://doi.org/10.1371/journal.pcbi.1007767
PLoS Computational Biology, 16(5):e1007767, 1-25. Public Library of Science
PLoS Computational Biology
Many proteins have the potential to aggregate into amyloid fibrils, protein polymers associated with a wide range of human disorders such as Alzheimer’s and Parkinson’s disease. The thermodynamic stability of amyloid fibrils, in contrast to that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d821932009787a55993729cb0a91f92f
https://orbit.dtu.dk/en/publications/5f8df05c-0576-4c55-b279-dad21b40eaf9
https://orbit.dtu.dk/en/publications/5f8df05c-0576-4c55-b279-dad21b40eaf9