| Protein dynamics and electron transfer: Electronic decoherence and non-Condon effects SS Skourtis, IA Balabin, T Kawatsu, DN Beratan Proceedings of the National Academy of Sciences 102 (10), 3552-3557, 2005 | 199 | 2005 |
| Transition States in a Protein Environment− ONIOM QM: MM Modeling of Isopenicillin N Synthesis M Lundberg, T Kawatsu, T Vreven, MJ Frisch, K Morokuma Journal of chemical theory and computation 5 (1), 222-234, 2009 | 89 | 2009 |
| Quantum-chemical approach to electronic coupling: Application to charge separation and charge recombination pathways in a model molecular donor− acceptor system for organic … T Kawatsu, V Coropceanu, A Ye, JL Bredas The Journal of Physical Chemistry C 112 (9), 3429-3433, 2008 | 84 | 2008 |
| Destructive interference in the electron tunneling through protein media T Kawatsu, T Kakitani, T Yamato The Journal of Physical Chemistry B 106 (43), 11356-11366, 2002 | 59 | 2002 |
| Interference, fluctuation, and alternation of electron tunneling in protein media. 1. Two tunneling routes in photosynthetic reaction center alternate due to thermal … H Nishioka, A Kimura, T Yamato, T Kawatsu, T Kakitani The Journal of Physical Chemistry B 109 (5), 1978-1987, 2005 | 39 | 2005 |
| Aminooxy‐naphthylpropionic acid and its derivatives are inhibitors of auxin biosynthesis targeting l‐tryptophan aminotransferase: structure–activity relationships M Narukawa‐Nara, A Nakamura, K Kikuzato, Y Kakei, A Sato, Y Mitani, ... The Plant Journal 87 (3), 245-257, 2016 | 36 | 2016 |
| Interference, fluctuation, and alternation of electron tunneling in protein media. 2. Non-Condon theory for the energy gap dependence of electron transfer rate H Nishioka, A Kimura, T Yamato, T Kawatsu, T Kakitani The Journal of Physical Chemistry B 109 (32), 15621-15635, 2005 | 33 | 2005 |
| Worm model for electron tunneling in proteins: Consolidation of the pathway model and the Dutton plot T Kawatsu, T Kakitani, T Yamato The Journal of Physical Chemistry B 105 (19), 4424-4435, 2001 | 32 | 2001 |
| Protein free energy corrections in ONIOM QM: MM modeling: a case study for isopenicillin N synthase (IPNS) T Kawatsu, M Lundberg, K Morokuma Journal of Chemical Theory and Computation 7 (2), 390-401, 2011 | 28 | 2011 |
| On the anomaly of the tunneling matrix element in long-range electron transfer T Kawatsu, T Kakitani, T Yamato The Journal of Physical Chemistry B 106 (19), 5068-5074, 2002 | 27 | 2002 |
| Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites N Tomioka, L Bindi, T Okuchi, M Miyahara, T Iitaka, Z Li, T Kawatsu, X Xie, ... Communications Earth & Environment 2 (1), 16, 2021 | 25 | 2021 |
| A novel method for determining the electron tunneling pathway in protein T Kawatsu, T Kakitani, T Yamato Inorganica Chimica Acta 300, 862-868, 2000 | 22 | 2000 |
| Efficient algorithms for semiclassical instanton calculations based on discretized path integrals T Kawatsu, S Miura The Journal of Chemical Physics 141 (2), 2014 | 18 | 2014 |
| Bridge-mediated excitation energy transfer pathways through protein media: A slater determinant-based electronic coupling calculation combined with localized molecular orbitals T Kawatsu, K Matsuda, J Hasegawa The Journal of Physical Chemistry A 115 (39), 10814-10822, 2011 | 17 | 2011 |
| Electron transfer between cofactors in protein domains linked by a flexible tether T Kawatsu, DN Beratan Chemical physics 326 (1), 259-269, 2006 | 17 | 2006 |
| A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals Y Oba, T Kawatsu, M Tachikawa The Journal of Chemical Physics 145 (6), 2016 | 16 | 2016 |
| Chemical-intuition based LMO transformation simplifies excited-state wave functions of peptides J Hasegawa, T Kawatsu, K Toyota, K Matsuda Chemical Physics Letters 508 (1-3), 171-176, 2011 | 14 | 2011 |
| Conformationally averaged score functions for electronic propagation in proteins T Kawatsu, DN Beratan, T Kakitani The Journal of Physical Chemistry B 110 (11), 5747-5757, 2006 | 14 | 2006 |
| Review pathway analysis for peptide‐mediated electronic coupling in the super‐exchange mechanism of ET and EET T Kawatsu Peptide Science 100 (1), 100-113, 2013 | 10 | 2013 |
| A configuration interaction picture for a molecular environment using localized molecular orbitals: the excited states of retinal proteins J Hasegawa, KJ Fujimoto, T Kawatsu Journal of Chemical Theory and Computation 8 (11), 4452-4461, 2012 | 10 | 2012 |
