Peptide-Protein Binding Investigated by Far-IR Spectroscopy and Molecular Dynamics Simulations

Autor: yoann cote, Juan D. Ramirez, Petra Hellwig, Yves Nominé, Roland H. Stote

Publikováno v: Biophysical Journal
Biophysical Journal, Biophysical Society, 2017, 112 (12), pp.2575-2588. ⟨10.1016/j.bpj.2017.05.018⟩
Biophysical Journal, 2017, 112 (12), pp.2575-2588. ⟨10.1016/j.bpj.2017.05.018⟩

PMC5479146; Molecular dynamics (MD) simulations and far-infrared (far-IR) spectroscopy were combined to study peptide binding by the second PDZ domain (PDZ1) of MAGI1, which has been identified as an important target for the Human Papilloma Virus. PD

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22c1129f69f92388b4a7b63633f62b64
https://doi.org/10.1016/j.bpj.2017.05.018

Nonexponential decay of internal rotational correlation functions of native proteins and self-similar structural fluctuations

Autor: Patrick Senet, Yoann Cote, Patrice Delarue, Harold A. Scheraga, Gia G. Maisuradze

Publikováno v: Proceedings of the National Academy of Sciences. 107:19844-19849

Structural fluctuations of a protein are essential for the function of native proteins and for protein folding. To understand how the main chain in the native state of a protein fluctuates on different time scales, we examined the rotational correlat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2844acc25fa650e0b0461909a2c8dd62
https://doi.org/10.1073/pnas.1013674107

Mechanism of the pH-Controlled Self-Assembly of Nanofibers from Peptide Amphiphiles

Autor: Hung D. Nguyen, Eric T. Dobson, Jana Shen, Joshua E. Goldberger, Iris W. Fu, Yoann Cote

Publikováno v: The journal of physical chemistry. C, Nanomaterials and interfaces, vol 118, iss 29
Cote, Y; Fu, IW; Dobson, ET; Goldberger, JE; Nguyen, HD; & Shen, JK. (2014). Mechanism of the pH-controlled self-assembly of nanofibers from peptide amphiphiles. Journal of Physical Chemistry C, 118(29), 16272-16278. doi: 10.1021/jp5048024. UC Irvine: Retrieved from: http://www.escholarship.org/uc/item/99w367nk
ResearcherID
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces

Stimuli-responsive, self-assembling nanomaterials hold a great promise to revolutionize medicine and technology. However, current discovery is slow and often serendipitous. Here we report a multiscale modeling study to elucidate the pH-controlled sel

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::81ae878259c4ed24a9489296a3cac9da
https://escholarship.org/uc/item/99w367nk

Anomalous diffusion and dynamical correlation between the side chains and the main chain of proteins in their native state

Autor: Yoann Cote, Patrice Delarue, Gia G. Maisuradze, Harold A. Scheraga, Patrick Senet

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, 2012, 109, pp.10346--10351. 〈10.1073/pnas.1207083109〉
Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, 2012, 109, pp.10346--10351. ⟨10.1073/pnas.1207083109⟩

Structural fluctuations of a protein are essential for a protein to function and fold. By using molecular dynamics (MD) simulations of the model α/β protein VA3 in its native state, the coupling between the main-chain (MC) motions [represented by c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a576e44ae57fcd8517d6ac56c12d77d3
https://europepmc.org/articles/PMC3387131/

Glycoluril–tetrathiafulvalene molecular clips: on the influence of electronic and spatial properties for binding neutral accepting guests

Autor: Yoann Cotelle, Marie Hardouin-Lerouge, Stéphanie Legoupy, Olivier Alévêque, Eric Levillain, Piétrick Hudhomme

Publikováno v: Beilstein Journal of Organic Chemistry, Vol 11, Iss 1, Pp 1023-1036 (2015)

Glycoluril-based molecular clips incorporating tetrathiafulvalene (TTF) sidewalls have been synthesized through different strategies with the aim of investigating the effect of electrochemical and spatial properties for binding neutral accepting gues

Externí odkaz: https://doaj.org/article/fd5d1b5aa27048218a044aafa68b0ed8