Zobrazeno 1 - 10
of 99
pro vyhledávání: '"Damien Laage"'
Autor:
Kirill Zinovjev, Paul Guénon, Carlos A. Ramos-Guzmán, J. Javier Ruiz-Pernía, Damien Laage, Iñaki Tuñón
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)
Abstract Protein loop dynamics have recently been recognized as central to enzymatic activity, specificity and stability. However, the factors controlling loop opening and closing kinetics have remained elusive. Here, we combine molecular dynamics si
Externí odkaz:
https://doaj.org/article/8ddd2ac61fd549b694633d361c28dae6
Publikováno v:
Structural Dynamics, Vol 4, Iss 4, Pp 044018-044018-14 (2017)
The structure and function of biomolecules can be strongly influenced by their hydration shells. A key challenge is thus to determine the extent to which these shells differ from bulk water, since the structural fluctuations and molecular excitations
Externí odkaz:
https://doaj.org/article/10745d70744f45139e3115c2fd2f87bd
Publikováno v:
Journal of the American Chemical Society. 144:10524-10529
Whether the air-water interface decreases or increases the acidity of simple organic and inorganic acids compared to the bulk is critically important in a broad range of environmental and biochemical processes. However, a consensus has not yet been a
Publikováno v:
The journal of physical chemistry letters. 13(21)
The self-diffusion of water molecules plays a key part in a broad range of essential processes in biochemistry, medical imaging, material science, and engineering. However, its molecular mechanism and the role played by the water hydrogen-bond networ
Autor:
Fabien Ferrage, Damien Laage
Publikováno v:
Biophysical Journal. 121:3307-3308
Autor:
Nicolas Bolik-Coulon, Olivier Languin-Cattoën, Diego Carnevale, Milan Zachrdla, Damien Laage, Fabio Sterpone, Guillaume Stirnemann, Fabien Ferrage
Publikováno v:
Physical Review Letters
Physical Review Letters, 2022, 129 (20), pp.203001. ⟨10.1103/PhysRevLett.129.203001⟩
Physical Review Letters, 2022, 129 (20), pp.203001. ⟨10.1103/PhysRevLett.129.203001⟩
International audience; Nuclear magnetic relaxation is widely used to probe protein dynamics. For decades, most analyses of relaxation in proteins have relied successfully on the model-free approach, forgoing mechanistic descriptions of motions. Mode
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::860bef531d5d3dbacc1ac41f601adf08
http://arxiv.org/abs/2204.05813
http://arxiv.org/abs/2204.05813
Publikováno v:
Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (8), pp.1424-1437. ⟨10.1021/acs.jpcb.9b11190⟩
Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (8), pp.1424-1437. ⟨10.1021/acs.jpcb.9b11190⟩
International audience; For proteins in solvent mixtures, the relative abundances of each solvent in their solvation shell have a critical impact on their properties. Preferential solvation of a series of proteins in water–glycerol mixtures is stud
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (19), pp.10581-10591. ⟨10.1039/D0CP00359J⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (19), pp.10581-10591. ⟨10.1039/D0CP00359J⟩
International audience; The reorientation dynamics of water at electrified graphene interfaces was recently shown [J. Phys. Chem. Lett. 2020, 11, 624-631] to exhibit a surprising and strongly asymmetric behavior: positive electrode potentials slow do
Publikováno v:
The journal of physical chemistry. A. 125(46)
Recent advances in the calculation of activation energies are shedding new light on the dynamical time scales of liquid water. In this Perspective, we examine how activation energies elucidate the central, but not singular, role of the exchange of hy
Publikováno v:
Journal of Molecular Liquids. 363:119886