| Year |
Citation |
Score |
| 2023 |
Futera Z, Wu X, Blumberger J. Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions. The Journal of Physical Chemistry Letters. 14: 445-452. PMID 36622944 DOI: 10.1021/acs.jpclett.2c03361 |
0.634 |
|
| 2021 |
van Wonderen JH, Adamczyk K, Wu X, Jiang X, Piper SEH, Hall CR, Edwards MJ, Clarke TA, Zhang H, Jeuken LJC, Sazanovich IV, Towrie M, Blumberger J, Meech SR, Butt JN. Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34556577 DOI: 10.1073/pnas.2107939118 |
0.614 |
|
| 2021 |
Wu X, Hénin J, Baciou L, Baaden M, Cailliez F, de la Lande A. Mechanistic Insights on Heme-to-Heme Transmembrane Electron Transfer Within NADPH Oxydases From Atomistic Simulations. Frontiers in Chemistry. 9: 650651. PMID 34017816 DOI: 10.3389/fchem.2021.650651 |
0.628 |
|
| 2019 |
de la Lande A, Alvarez-Ibarra A, Hasnaoui K, Cailliez F, Wu X, Mineva T, Cuny J, Calaminici P, López-Sosa L, Geudtner G, Navizet I, Garcia Iriepa C, Salahub DR, Köster AM. Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules (Basel, Switzerland). 24. PMID 31035516 DOI: 10.3390/Molecules24091653 |
0.618 |
|
| 2018 |
Wu X, Clavaguera C, Lagardère L, Piquemal JP, de la Lande A. AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Journal of Chemical Theory and Computation. 14: 2705-2720. PMID 29630819 DOI: 10.1021/Acs.Jctc.7B01128 |
0.586 |
|
| 2018 |
Parise A, Alvarez-Ibarra A, Wu X, Zhao X, Pilmé J, de la Lande A. Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics. The Journal of Physical Chemistry Letters. PMID 29384381 DOI: 10.1021/Acs.Jpclett.7B03379 |
0.38 |
|
| 2018 |
Parise A, Alvarez-Ibarra A, Wu X, Zhao X, Pilmé J, de la Lande A. Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics. The Journal of Physical Chemistry Letters. PMID 29384381 DOI: 10.1021/Acs.Jpclett.7B03379 |
0.38 |
|
| 2017 |
Wu X, Teuler JM, Cailliez F, Clavaguera C, Salahub DR, de la Lande A. Simulating Electron Dynamics in Polarizable Environments. Journal of Chemical Theory and Computation. PMID 28738144 DOI: 10.1021/Acs.Jctc.7B00251 |
0.637 |
|
| 2016 |
Gillet N, Berstis L, Wu X, Gajdos F, Heck A, de la Lande A, Blumberger J, Elstner M. 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. PMID 27611912 DOI: 10.1021/Acs.Jctc.6B00564 |
0.646 |
|
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