| Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size K El Hage, F Hedin, PK Gupta, M Meuwly, M Karplus Elife 7, e35560, 2018 | 88 | 2018 |
| The cooperative binding of TDP-43 to GU-rich RNA repeats antagonizes TDP-43 aggregation JC Rengifo-Gonzalez, K El Hage, MJ Clément, E Steiner, V Joshi, ... Elife 10, e67605, 2021 | 60 | 2021 |
| A toolkit to fit nonbonded parameters from and for condensed phase simulations F Hédin, K El Hage, M Meuwly Journal of chemical information and modeling 56 (8), 1479-1489, 2016 | 36 | 2016 |
| Extending halogen-based medicinal chemistry to proteins K El Hage, V Pandyarajan, NB Phillips, BJ Smith, JG Menting, J Whittaker, ... Journal of Biological Chemistry 291 (53), 27023-27041, 2016 | 34 | 2016 |
| Implications of short time scale dynamics on long time processes K El Hage, S Brickel, S Hermelin, G Gaulier, C Schmidt, L Bonacina, ... Structural Dynamics 4 (6), 2017 | 33 | 2017 |
| Molecular mechanisms underlying solute retention at heterogeneous interfaces K El Hage, PK Gupta, R Bemish, M Meuwly The Journal of Physical Chemistry Letters 8 (18), 4600-4607, 2017 | 30 | 2017 |
| The role of water in the stability of wild-type and mutant insulin dimers S Raghunathan, K El Hage, JL Desmond, L Zhang, M Meuwly The Journal of Physical Chemistry B 122 (28), 7038-7048, 2018 | 28 | 2018 |
| Impact of quadrupolar electrostatics on atoms adjacent to the sigma-hole in condensed-phase simulations K El Hage, T Bereau, S Jakobsen, M Meuwly Journal of chemical theory and computation 12 (7), 3008-3019, 2016 | 27 | 2016 |
| Water dynamics around proteins: T-and R-states of hemoglobin and melittin M Pezzella, K El Hage, MJM Niesen, S Shin, AP Willard, M Meuwly, ... The Journal of Physical Chemistry B 124 (30), 6540-6554, 2020 | 25 | 2020 |
| Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds? KE Hage, JP Piquemal, Z Hobaika, RG Maroun, N Gresh Journal of computational chemistry 34 (13), 1125-1135, 2013 | 24 | 2013 |
| Lin28, a major translation reprogramming factor, gains access to YB-1-packaged mRNA through its cold-shock domain A Samsonova, K El Hage, B Desforges, V Joshi, MJ Clément, G Lambert, ... Communications biology 4 (1), 359, 2021 | 23 | 2021 |
| Sequential proton coupled electron transfer (PCET): Dynamics observed over 8 orders of magnitude in time L MacAleese, S Hermelin, KE Hage, P Chouzenoux, A Kulesza, ... Journal of the American Chemical Society 138 (13), 4401-4407, 2016 | 23 | 2016 |
| YB-1 unwinds mRNA secondary structures in vitro and negatively regulates stress granule assembly in HeLa cells K Budkina, K El Hage, MJ Clément, B Desforges, A Bouhss, V Joshi, ... Nucleic acids research 49 (17), 10061-10081, 2021 | 21 | 2021 |
| Free energy simulations for protein ligand binding and stability K El Hage, P Mondal, M Meuwly Molecular Simulation 44 (13-14), 1044-1061, 2018 | 19 | 2018 |
| Could the “Janus‐like” properties of the halobenzene CX bond (X Cl, Br) be leveraged to enhance molecular recognition? K El Hage, JP Piquemal, Z Hobaika, RG Maroun, N Gresh Journal of Computational Chemistry 36 (4), 210-221, 2015 | 16 | 2015 |
| Substituent-modulated affinities of halobenzene derivatives to the HIV-1 integrase recognition site. Analyses of the interaction energies by parallel quantum chemical and … K El Hage, JP Piquemal, Z Hobaika, RG Maroun, N Gresh The journal of physical chemistry A 118 (41), 9772-9782, 2014 | 16 | 2014 |
| Response to comment on'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size' K El Hage, F Hedin, PK Gupta, M Meuwly, M Karplus Elife 8, e45318, 2019 | 15 | 2019 |
| From in silica to in silico: retention thermodynamics at solid–liquid interfaces K El Hage, RJ Bemish, M Meuwly Physical Chemistry Chemical Physics 20 (27), 18610-18622, 2018 | 15 | 2018 |
| A Simple isomerization of the purine scaffold of a kinase inhibitor, roscovitine, affords a four-to seven-fold enhancement of its affinity for four CDKs. Could this be traced … K El Hage, JP Piquemal, N Oumata, L Meijer, H Galons, N Gresh ACS omega 2 (7), 3467-3474, 2017 | 14 | 2017 |
| Targeting RNA:Protein Interactions with an Integrative Approach Leads to the Identification of Potent YB-1 Inhibitors K El Hage, N Babault, O Maciejak, B Desforges, P Craveur, E Steiner, ... eLife, 2023 | 13 | 2023 |
M MeuwlyUniversity of BaselVerified email at unibas.ch