| Conversion of channelrhodopsin into a light-gated chloride channel J Wietek, JS Wiegert, N Adeishvili, F Schneider, H Watanabe, ... Science 344 (6182), 409-412, 2014 | 445 | 2014 |
| Towards an understanding of channelrhodopsin function: simulations lead to novel insights of the channel mechanism HC Watanabe, K Welke, DJ Sindhikara, P Hegemann, M Elstner Journal of molecular biology 425 (10), 1795-1814, 2013 | 85 | 2013 |
| Origins of water molecules in the photosystem II crystal structure N Sakashita, HC Watanabe, T Ikeda, K Saito, H Ishikita Biochemistry 56 (24), 3049-3057, 2017 | 80 | 2017 |
| Size-consistent multipartitioning QM/MM: A stable and efficient adaptive QM/MM method HC Watanabe, T Kubař, M Elstner Journal of chemical theory and computation 10 (10), 4242-4252, 2014 | 77 | 2014 |
| Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters Q Gao, GO Jones, M Motta, M Sugawara, HC Watanabe, T Kobayashi, ... npj Computational Materials 7 (1), 70, 2021 | 61 | 2021 |
| Structural model of channelrhodopsin HC Watanabe, K Welke, F Schneider, S Tsunoda, F Zhang, K Deisseroth, ... Journal of Biological Chemistry 287 (10), 7456-7466, 2012 | 61 | 2012 |
| Active site structure and absorption spectrum of channelrhodopsin-2 wild-type and C128T mutant Y Guo, FE Beyle, BM Bold, HC Watanabe, A Koslowski, W Thiel, ... Chemical Science 7 (6), 3879-3891, 2016 | 46 | 2016 |
| Quantitative analysis of QM/MM boundary artifacts and correction in adaptive QM/MM simulations HC Watanabe, Q Cui Journal of chemical theory and computation 15 (7), 3917-3928, 2019 | 44 | 2019 |
| Electron transfer pathways in a multiheme cytochrome MtrF HC Watanabe, Y Yamashita, H Ishikita Proceedings of the National Academy of Sciences 114 (11), 2916-2921, 2017 | 44 | 2017 |
| Color tuning in binding pocket models of the chlamydomonas-type channelrhodopsins K Welke, JS Frähmcke, HC Watanabe, P Hegemann, M Elstner The journal of physical chemistry B 115 (50), 15119-15128, 2011 | 37 | 2011 |
| QM/MM simulations of vibrational spectra of bacteriorhodopsin and channelrhodopsin-2 K Welke, HC Watanabe, T Wolter, M Gaus, M Elstner Physical Chemistry Chemical Physics 15 (18), 6651-6659, 2013 | 34 | 2013 |
| Structurally conserved channels in cyanobacterial and plant photosystem II N Sakashita, HC Watanabe, T Ikeda, H Ishikita Photosynthesis Research 133, 75-85, 2017 | 29 | 2017 |
| Improvement of performance, stability and continuity by modified size-consistent multipartitioning quantum mechanical/molecular mechanical method HC Watanabe Molecules 23 (8), 1882, 2018 | 22 | 2018 |
| Simulating time evolution with fully optimized single-qubit gates on parametrized quantum circuits K Wada, R Raymond, Y Ohnishi, E Kaminishi, M Sugawara, N Yamamoto, ... Physical Review A 105 (6), 062421, 2022 | 21 | 2022 |
| Optimizing parameterized quantum circuits with free-axis selection HC Watanabe, R Raymond, YY Ohnishi, E Kaminishi, M Sugawara 2021 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2021 | 21 | 2021 |
| An adaptive quantum mechanics/molecular mechanics method for the infrared spectrum of water: incorporation of the quantum effect between solute and solvent HC Watanabe, M Banno, M Sakurai Physical Chemistry Chemical Physics 18 (10), 7318-7333, 2016 | 20 | 2016 |
| Post-Hartree–Fock method in quantum chemistry for quantum computer Y Shikano, HC Watanabe, KM Nakanishi, Y Ohnishi The European Physical Journal Special Topics 230 (4), 1037-1051, 2021 | 18 | 2021 |
| Molecular mechanism of long-range synergetic color tuning between multiple amino acid residues in conger rhodopsin HC Watanabe, Y Mori, T Tada, S Yokoyama, T Yamato Biophysics 6, 67-78, 2010 | 16 | 2010 |
| Mutational analysis of the conserved carboxylates of anion channelrhodopsin-2 (ACR2) expressed in Escherichia coli and their roles in anion transport K Kojima, HC Watanabe, S Doi, N Miyoshi, M Kato, H Ishikita, Y Sudo Biophysics and physicobiology 15, 179-188, 2018 | 15 | 2018 |
| Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method HC Watanabe, M Kubillus, T Kubař, R Stach, B Mizaikoff, H Ishikita Physical Chemistry Chemical Physics 19 (27), 17985-17997, 2017 | 15 | 2017 |
Peter HegemannHertie Professor for Biophysics, Humboldt Universität zu BerlinVerified email at rz.hu-berlin.de
