| Multidimensional replica-exchange method for free-energy calculations Y Sugita, A Kitao, Y Okamoto The Journal of chemical physics 113 (15), 6042-6051, 2000 | 1079 | 2000 |
| Investigating protein dynamics in collective coordinate space A Kitao, N Go Current opinion in structural biology 9 (2), 164-169, 1999 | 588 | 1999 |
| The effects of solvent on the conformation and the collective motions of protein: normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum A Kitao, F Hirata, N Gō Chemical physics 158 (2-3), 447-472, 1991 | 486 | 1991 |
| Normal mode analysis: theory and applications to biological and chemical systems Q Cui, I Bahar CRC press, 2005 | 465 | 2005 |
| Model‐free methods of analyzing domain motions in proteins from simulation: a comparison of normal mode analysis and molecular dynamics simulation of lysozyme S Hayward, A Kitao, HJC Berendsen Proteins: Structure, Function, and Bioinformatics 27 (3), 425-437, 1997 | 337 | 1997 |
| Energy landscape of a native protein: jumping‐among‐minima model A Kitao, S Hayward, N Go Proteins: Structure, Function, and Bioinformatics 33 (4), 496-517, 1998 | 317 | 1998 |
| Structure of the bacterial flagellar hook and implication for the molecular universal joint mechanism FA Samatey, H Matsunami, K Imada, S Nagashima, TR Shaikh, ... Nature 431 (7012), 1062-1068, 2004 | 273 | 2004 |
| Effect of solvent on collective motions in globular protein S Hayward, A Kitao, F Hirata, N Gō Journal of molecular biology 234 (4), 1207-1217, 1993 | 249 | 1993 |
| Harmonicity and anharmonicity in protein dynamics: a normal mode analysis and principal component analysis S Hayward, A Kitao, N Gō Proteins: Structure, Function, and Bioinformatics 23 (2), 177-186, 1995 | 194 | 1995 |
| Parallel cascade selection molecular dynamics (PaCS-MD) to generate conformational transition pathway R Harada, A Kitao The Journal of chemical physics 139 (3), 2013 | 189 | 2013 |
| Principal component analysis of native ensembles of biomolecular structures (PCA_NEST): insights into functional dynamics LW Yang, E Eyal, I Bahar, A Kitao Bioinformatics 25 (5), 606-614, 2009 | 169 | 2009 |
| Harmonic and anharmonic aspects in the dynamics of BPTI: a normal mode analysis and principal component analysis S Hayward, A Kitao, N Gō Protein Science 3 (6), 936-943, 1994 | 167 | 1994 |
| Delineating the conformational landscape of the adenosine A2A receptor during G protein coupling SK Huang, A Pandey, DP Tran, NL Villanueva, A Kitao, RK Sunahara, ... Cell 184 (7), 1884-1894. e14, 2021 | 166 | 2021 |
| TRPV4 channel activity is modulated by direct interaction of the ankyrin domain to PI(4,5)P2 N Takahashi, S Hamada-Nakahara, Y Itoh, K Takemura, A Shimada, ... Nature communications 5 (1), 4994, 2014 | 130 | 2014 |
| Principal component analysis and related methods for investigating the dynamics of biological macromolecules A Kitao j 5 (2), 298-317, 2022 | 105 | 2022 |
| Water model tuning for improved reproduction of rotational diffusion and NMR spectral density K Takemura, A Kitao The Journal of Physical Chemistry B 116 (22), 6279-6287, 2012 | 104 | 2012 |
| Structure of the cytoplasmic domain of FlhA and implication for flagellar type III protein export Y Saijo‐Hamano, K Imada, T Minamino, M Kihara, M Shimada, A Kitao, ... Molecular microbiology 76 (1), 260-268, 2010 | 99 | 2010 |
| Picosecond fluctuating protein energy landscape mapped by pressure–temperature molecular dynamics simulation L Meinhold, JC Smith, A Kitao, AH Zewail Proceedings of the National Academy of Sciences 104 (44), 17261-17265, 2007 | 97 | 2007 |
| Eritoran inhibits S100A8-mediated TLR4/MD-2 activation and tumor growth by changing the immune microenvironment A Deguchi, T Tomita, U Ohto, K Takemura, A Kitao, S Akashi-Takamura, ... Oncogene 35 (11), 1445-1456, 2016 | 92 | 2016 |
| Binding free energy of protein/ligand complexes calculated using dissociation Parallel Cascade Selection Molecular Dynamics and Markov state model H Hata, DP Tran, MM Sobeh, A Kitao Biophysics and Physicobiology 18, 305-316, 2021 | 82 | 2021 |
Kazuhiro TakemuraAssistant Professor, BAI, National Tsin Hua UniversityVerified email at mx.nthu.edu.tw
