Recherche - Direction de la recherche fondamentale - sciences du vivant Accéder directement au contenu

Filtrer vos résultats

17 résultats
keyword_s : Molecular dynamics
Image document

Influence of chain length and crystallinity on the molecular mobility of polylactide and its oligomers

Sareh Mahmoudian Moghaddam
Other [cond-mat.other]. Normandie Université, 2020. English. ⟨NNT : 2020NORMR039⟩
Thèse tel-03473747v1
Image document

Parametric study of the Two-Temperature Model for Molecular Dynamics simulations of collisions cascades in Si and Ge

Thomas Jarrin , Antoine Jay , Anne Hémeryck , Nicolas Richard
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2020, 485, pp.1-9. ⟨10.1016/j.nimb.2020.09.025⟩
Article dans une revue hal-03005515v1
Image document

Prédiction des constantes cinétiques de complexes protéine-ligand

Sonia Ziada
Chimie organique. Université d'Orléans, 2019. Français. ⟨NNT : 2019ORLE3175⟩
Thèse tel-03853237v1

The hepatitis C virus RNA-dependent RNA polymerase directs incoming nucleotides to its active site through magnesium-dependent dynamics within its F motif

Kaouther Ben Ouirane , Yves Boulard , Stéphane Bressanelli
Journal of Biological Chemistry, 2019, 294 (19), pp.7573--7587. ⟨10.1074/jbc.RA118.005209⟩
Article dans une revue hal-02169568v1

DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment

Fabrizio Creazzo , Daria Ruth Galimberti , Simone Pezzotti , Marie-Pierre Gaigeot
Journal of Chemical Physics, 2019, 150 (4), pp.041721. ⟨10.1063/1.5053729⟩
Article dans une revue hal-02104556v1
Image document

Investigation of alumino-silicate glasses by coupling experiments and simulations: Part I - Structures

Jean-Marc Delaye , A. Le Gac , S. Macaluso , F. Angeli , F. Lodesani , et al.
Journal of Non-Crystalline Solids, 2020, 567, pp.120936. ⟨10.1016/j.jnoncrysol.2021.120936⟩
Article dans une revue cea-03234322v1
Image document

Collision cascades overlapping with selfinterstitial defect clusters in Fe and W

Jesper Byggmäster , Frederic Granberg , Andreea E Sand , Alexander Pirttikoski , Rebecca Alexander , et al.
Journal of Physics: Condensed Matter, 2019, 31 (24), pp.245402. ⟨10.1088/1361-648X/ab0682⟩
Article dans une revue cea-03851951v1
Image document

Molecular dynamics simulation of ballistic effects in simplified nuclear waste glasses

Amreen Jan , Jean-Marc Delaye , S. Gin , Sebastien Kerisit
Journal of Non-Crystalline Solids, 2019, 505, pp.188-201. ⟨10.1016/j.jnoncrysol.2018.11.021⟩
Article dans une revue cea-02510729v1
Image document

Structural study of lanthanum aluminoborate glasses combining molecular dy.namics, nuclear magnetic resonance and neutron diffraction

Erwan Chesneau , Thibault Charpentier , Daniel Caurant , Rodolphe Pollet , Odile Majérus , et al.
Joint Meeting of DGG – USTV, May 2019, Nürnberg, Germany
Communication dans un congrès cea-02329346v1
Image document

Interatomic potentials for irradiation-induced defects in iron

Rebecca Alexander , Laurent Proville , Charlotte Becquart , Alexandra M. Goryeava , Julien Dérès , et al.
Journal of Nuclear Materials, In press, ⟨10.1016/j.jnucmat.2020.152141⟩
Article dans une revue hal-02541795v1
Image document

A new equation of state for helium nanobubbles embedded in UO$_2$ matrix calculated via molecular dynamics simulations

Laurent van Brutzel , Alain Chartier
Journal of Nuclear Materials, 2019, 518, pp.431-439. ⟨10.1016/j.jnucmat.2019.02.015⟩
Article dans une revue cea-02339951v1
Image document

Investigating the role of intrinsic conformational disorder in mumps virus proteins

Stefaniia Ivashchenko
Virology. Université Grenoble Alpes, 2019. English. ⟨NNT : 2019GREAY026⟩
Thèse tel-02448300v2
Image document

Relationship between the structure and the physical properties of polymers based on furandicarboxylic acid obtained from biomass

Aurélie Bourdet
Materials Science [cond-mat.mtrl-sci]. Normandie Université; Esposito, 2020. English. ⟨NNT : 2020NORMR113⟩
Thèse tel-03376525v1

Investigation into Early Steps of Actin Recognition by the Intrinsically Disordered N-WASP Domain V

Maud Chan-Yao-Chong , Dominique Durand , Tâp Ha-Duong
International Journal of Molecular Sciences, 2019, 20 (18), ⟨10.3390/ijms20184493⟩
Article dans une revue hal-02294231v1
Image document

Advanced thermal analysis and transport properties of stereocomplex polylactide

Nagihan Varol
Materials. Normandie Université, 2019. English. ⟨NNT : 2019NORMR019⟩
Thèse tel-02272914v1
Image document

Sputtering of beryllium oxide by deuterium at various temperatures simulated with molecular dynamics

Etienne A Hodille , Jesper Byggmästar , E Safi , Kai Nordlund
Physica Scripta, 2020, T171, pp.014024. ⟨10.1088/1402-4896/ab43fa⟩
Article dans une revue hal-02901332v1

Combined molecular dynamics (MD) and small angle scattering (SAS) analysis of organization on a nanometer-scale in ternary solvent solutions containing a hydrotrope

Sebastian Schöttl , Tobias Lopian , Sylvain Prevost , Didier Touraud , Isabelle Grillo , et al.
Journal of Colloid and Interface Science, 2019, 540, pp.623-633. ⟨10.1016/j.jcis.2019.01.037⟩
Article dans une revue hal-02133579v1