Aurélien de la Lande, Ph.D.
Affiliations: | Chemistry | Université Paris-Sud, Orsay / CNRS |
Area:
Theoretical ChemistryWebsite:
http://www.lcp.u-psud.fr/spip.php?page=fiche_identite&prenom=Aur%C3%A9lien&nom=De+La+LANDEGoogle:
"Aurélien de la Lande"Mean distance: 10.49 | S | N | B | C | P |
Parents
Sign in to add mentor| Olivier Parisel | grad student | 2004-2007 | Université Pierre et Marie Curie | |
| ( Modélisation multiéchelle de monooxygénases à centres cuivreux non couplés) | ||||
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Publications
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| Wu X, Hénin J, Baciou L, et al. (2021) Mechanistic Insights on Heme-to-Heme Transmembrane Electron Transfer Within NADPH Oxydases From Atomistic Simulations. Frontiers in Chemistry. 9: 650651 |
| Mejía-Rodríguez D, de la Lande A. (2019) Multicomponent density functional theory with density fitting. The Journal of Chemical Physics. 150: 174115 |
| de la Lande A, Alvarez-Ibarra A, Hasnaoui K, et al. (2019) Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules (Basel, Switzerland). 24 |
| Wu X, Clavaguera C, Lagardère L, et al. (2018) AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Journal of Chemical Theory and Computation. 14: 2705-2720 |
| Wu X, Teuler JM, Cailliez F, et al. (2017) Simulating Electron Dynamics in Polarizable Environments. Journal of Chemical Theory and Computation |
| de la Lande A, Clavaguéra C, Köster A. (2017) On the accuracy of population analyses based on fitted densities(). Journal of Molecular Modeling. 23: 99 |
| Gillet N, Berstis L, Wu X, et al. (2016) Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using CDFT and Effective Hamiltonian approaches at DFT and FODFTB level. Journal of Chemical Theory and Computation |
| de la Lande A, Ha-Thi MH, Chen S, et al. (2016) Structure of cobalt protoporphyrin chloride and its dimer, observation and DFT modeling. Physical Chemistry Chemical Physics : Pccp |
| Salahub DR, Noskov SY, Lev B, et al. (2015) QM/MM calculations with deMon2k. Molecules (Basel, Switzerland). 20: 4780-812 |
| Narth C, Gillet N, Cailliez F, et al. (2015) Electron transfer, decoherence, and protein dynamics: insights from atomistic simulations. Accounts of Chemical Research. 48: 1090-7 |