Nadia Elghobashi-Meinhardt
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Oxidation of gold by oxygen-ion sputtering
JM Gottfried, N Elghobashi, SLM Schroeder, K Christmann
Surface science 523 (1-2), 89-102, 2003
IR+ UV laser pulse control of momenta directed to specific products: Quantum model simulations for HOD*→ H+ OD versus HO+ D
N Elghobashi, P Krause, J Manz, M Oppel
Physical Chemistry Chemical Physics 5 (21), 4806-4813, 2003
Quantum model simulations of symmetry breaking and control of bond selective dissociation of using IR+UV laser pulses
N Elghobashi, L GonzŠlez, J Manz
The Journal of chemical physics 120 (17), 8002-8014, 2004
A theoretical anharmonic study of the infrared absorption spectra of , , , and anions
N Elghobashi, L GonzŠlez
The Journal of Chemical Physics 124 (17), 174308, 2006
Breaking the strong and weak bonds of OHF− using few-cycle IR+ UV laser pulses
N Elghobashi, L GonzŠlez
Physical Chemistry Chemical Physics 6 (16), 4071-4073, 2004
Molecular basis of cholesterol efflux via ABCG subfamily transporters
Y Sun, J Wang, T Long, X Qi, L Donnelly, N Elghobashi-Meinhardt, ...
Proceedings of the National Academy of Sciences 118 (34), e2110483118, 2021
Inter-domain dynamics drive cholesterol transport by NPC1 and NPC1L1 proteins
P Saha, JL Shumate, JG Caldwell, N Elghobashi-Meinhardt, A Lu, ...
Elife 9, e57089, 2020
Response of water to electric fields at temperatures below the glass transition: A molecular dynamics analysis
X Hu, N Elghobashi-Meinhardt, D Gembris, JC Smith
The Journal of chemical physics 135 (13), 134507, 2011
Separating the photofragments of randomly oriented symmetric reactants by IR + UV laser pulses: Quantum simulations for FHF− → F + FH + e
N Elghobashi, J Manz
Israel journal of chemistry 43 (3‐4), 293-303, 2003
Computational tools unravel putative sterol binding sites in the lysosomal NPC1 protein
N Elghobashi-Meinhardt
Journal of chemical information and modeling 59 (5), 2432-2441, 2019
Niemann–pick type C disease: a QM/MM study of conformational changes in cholesterol in the NPC1 (NTD) and NPC2 binding pockets
N Elghobashi-Meinhardt
Biochemistry 53 (41), 6603-6614, 2014
Quantum Simulations for isotope effects of IR+ UV laser pulses on symmetry and selective hydrogen bond breaking
N Elghobashi, L GonzŠlez, J Manz
Zeitschrift fŁr Physikalische Chemie 217 (12), 1577-1596, 2003
ProPairs: a data set for protein–protein docking
F Krull, G Korff, N Elghobashi-Meinhardt, EW Knapp
Journal of chemical information and modeling 55 (7), 1495-1507, 2015
Simulations of NPC1 (NTD): NPC2 protein complex reveal cholesterol transfer pathways
M Hodošček, N Elghobashi-Meinhardt
International journal of molecular sciences 19 (9), 2623, 2018
Few-cycle laser pulses to obtain spatial separation of dissociation products
N Elghobashi-Meinhardt, L GonzŠlez, I Barth, T Seideman
The Journal of chemical physics 130 (2), 024310, 2009
Mechanisms and inhibition of Porcupine-mediated Wnt acylation
Y Liu, X Qi, L Donnelly, N Elghobashi-Meinhardt, T Long, RW Zhou, ...
Nature 607 (7920), 816-822, 2022
Cholesterol transport in wild-type NPC1 and P691S: molecular dynamics simulations reveal changes in dynamical behavior
N Elghobashi-Meinhardt
International Journal of Molecular Sciences 21 (8), 2962, 2020
Electronic and Structural Properties of the Double Cubane Iron-Sulfur Cluster
N Elghobashi-Meinhardt, D Tombolelli, MA Mroginski
Catalysts 11 (2), 245, 2021
QM/MM computations reveal details of the acetyl-CoA synthase catalytic center
N Elghobashi-Meinhardt, D Tombolelli, MA Mroginski
Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (7), 129579, 2020
Catalysis of Ground State cistrans Isomerization of Bacteriorhodopsin’s Retinal Chromophore by a Hydrogen-Bond Network
N Elghobashi-Meinhardt, P Phatak, AN Bondar, M Elstner, JC Smith
The Journal of Membrane Biology 251 (3), 315-327, 2018
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