| Visualizing proton antenna in a high-resolution green fluorescent protein structure A Shinobu, GJ Palm, AJ Schierbeek, N Agmon Journal of the American Chemical Society 132 (32), 11093-11102, 2010 | 101 | 2010 |
| Mapping proton wires in proteins: carbonic anhydrase and GFP chromophore biosynthesis A Shinobu, N Agmon The Journal of Physical Chemistry A 113 (26), 7253-7266, 2009 | 48 | 2009 |
| Proton wire dynamics in the green fluorescent protein A Shinobu, N Agmon Journal of Chemical Theory and Computation 13 (1), 353-369, 2017 | 42 | 2017 |
| Essential ion binding residues for Na+ flow in stator complex of the Vibrio flagellar motor Y Onoue, M Iwaki, A Shinobu, Y Nishihara, H Iwatsuki, H Terashima, ... Scientific reports 9 (1), 11216, 2019 | 28 | 2019 |
| The hole in the barrel: water exchange at the GFP chromophore A Shinobu, N Agmon The Journal of Physical Chemistry B 119 (8), 3464-3478, 2015 | 25 | 2015 |
| Refining evERdock: Improved selection of good protein-protein complex models achieved by MD optimization and use of multiple conformations A Shinobu, K Takemura, N Matubayasi, A Kitao The Journal of Chemical Physics 149 (19), 2018 | 20 | 2018 |
| evERdock BAI: Machine-learning-guided selection of protein-protein complex structure K Terayama, A Shinobu, K Tsuda, K Takemura, A Kitao The Journal of Chemical Physics 151 (21), 2019 | 9 | 2019 |
| Unraveling the coupling between conformational changes and ligand binding in ribose binding protein using multiscale molecular dynamics and free-energy calculations W Ren, HM Dokainish, A Shinobu, H Oshima, Y Sugita The Journal of Physical Chemistry B 125 (11), 2898-2909, 2021 | 8 | 2021 |
| Coarse-grained modeling of multiple pathways in conformational transitions of multi-domain proteins A Shinobu, C Kobayashi, Y Matsunaga, Y Sugita Journal of Chemical Information and Modeling 61 (5), 2427-2443, 2021 | 5 | 2021 |
| Practical Protocols for efficient sampling of kinase-inhibitor binding pathways using two-dimensional replica-exchange molecular dynamics A Shinobu, S Re, Y Sugita Frontiers in molecular biosciences 9, 878830, 2022 | 4 | 2022 |
| Building a macro-mixing dual‑basin Gō model using the Multistate Bennett Acceptance Ratio A Shinobu, C Kobayashi, Y Matsunaga, Y Sugita Biophysics and Physicobiology 16, 310-321, 2019 | 4 | 2019 |
| Molecular dynamics in multidimensional space explains how mutations affect the association path of neomycin to a riboswitch P Chyży, M Kulik, A Shinobu, S Re, Y Sugita, J Trylska Proceedings of the National Academy of Sciences 121 (15), e2317197121, 2024 | | 2024 |
| Binding free energy landscape of c-Src kinase to its inhibitors sampled by molecular dynamics simulations: Effect of ligand size and flexibility A Shinobu, S Re, Y Sugita Biophysical Journal 122 (3), 37a, 2023 | | 2023 |
| The impact of inhibitor size and flexibility on the binding pathways to c-Src kinase A Shinobu, S Re, Y Sugita bioRxiv, 2022.10. 25.513784, 2022 | | 2022 |
| Building a Macro-mixing Dual-basin Go Model using the Multistate Bennett Acceptance Ratio A Shinobu, C Kobayashi, Y Matsunaga, Y Sugita Biophysical Journal 118 (3), 179a, 2020 | | 2020 |
| Computer Simulations of Water Exchange and Hydrogen-bond Networks in the Green Fluorescent Protein A Shinobu Hebrew University of Jerusalem, 2015 | | 2015 |
| Proton migration and privileged water exchange in the green fluorescent protein A Shinobu, N Agmon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
Noam AgmonProf. of Theoretical ChemistryVerified email at fh.huji.ac.il
