Oxidation of gold by oxygen-ion sputtering JM Gottfried, N Elghobashi, SLM Schroeder, K Christmann
Surface science 523 (1-2), 89-102, 2003
96 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
74 2003 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
71 2022 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
67 2021 Quantum model simulations of symmetry breaking and control of bond selective dissociation of N Elghobashi, L González, J Manz
The Journal of chemical physics 120 (17), 8002-8014, 2004
47 2004 A theoretical anharmonic study of the infrared absorption spectra of FHF−, FDF−, OHF−, and ODF− anions N Elghobashi, L González
The Journal of Chemical Physics 124 (17), 2006
40 2006 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
37 2020 Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate H Chen, S Ahmed, H Zhao, N Elghobashi-Meinhardt, Y Dai, JH Kim, ...
Cell 186 (12), 2644-2655. e16, 2023
36 2023 Breaking the strong and weak bonds of OHF− using few-cycle IR+ UV laser pulses N Elghobashi, L González
Physical Chemistry Chemical Physics 6 (16), 4071-4073, 2004
34 2004 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), 2011
23 2011 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
20 2015 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
18 2003 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
17 2014 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
16 2019 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
15 2018 Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling X Qi, Q Hu, N Elghobashi-Meinhardt, T Long, H Chen, X Li
Cell 186 (23), 5028-5040. e14, 2023
14 2023 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
12 2020 Quantum Simulations for isotope effects of IR+ UV laser pulses on symmetry and selective hydrogen bond breaking N Elghobashi, L González, J Manz
Zeitschrift für Physikalische Chemie 217 (12), 1577-1596, 2003
12 2003 Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design D Berta, M Badaoui, SA Martino, PJ Buigues, AV Pisliakov, ...
Chemical Science 12 (40), 13492-13505, 2021
11 2021 Electronic and Structural Properties of the Double Cubane Iron-Sulfur Cluster N Elghobashi-Meinhardt, D Tombolelli, MA Mroginski
Catalysts 11 (2), 245, 2021
10 2021 