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2020 – today
- 2022
[j11]Hiroko X. Kondo
, Masanori Fujii, Takuma Tanioka, Yusuke Kanematsu, Takashi Yoshida, Yu Takano:
Global Analysis of Heme Proteins Elucidates the Correlation between Heme Distortion and the Heme-Binding Pocket. J. Chem. Inf. Model. 62(4): 775-784 (2022)- 2020
- [j10]Hiroko X. Kondo, Yusuke Kanematsu, Gen Masumoto, Yu Takano:
PyDISH: database and analysis tools for heme porphyrin distortion in heme proteins. Database J. Biol. Databases Curation 2020 (2020)
2010 – 2019
- 2019
- [j9]Hiroko X. Kondo, Ayumi Kusaka, Colin K. Kitakawa, Jinta Onari, Shusuke Yamanaka, Haruki Nakamura, Yu Takano:
Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach. J. Comput. Chem. 40(23): 2043-2052 (2019) - 2018
- [j8]Yasuhiro Imada, Haruki Nakamura, Yu Takano:
Density functional study of porphyrin distortion effects on redox potential of heme. J. Comput. Chem. 39(3): 143-150 (2018) - 2017
- [j7]Ryuhei Harada, Yu Takano, Yasuteru Shigeta:
Common folding processes of mini-proteins: Partial formations of secondary structures initiate the immediate protein folding. J. Comput. Chem. 38(11): 790-797 (2017) - 2016
- [j6]Yu Takano, Kazuto Nakata, Yasushige Yonezawa, Haruki Nakamura:
Development of massive multilevel molecular dynamics simulation program, platypus (PLATform for dYnamic protein unified simulation), for the elucidation of protein functions. J. Comput. Chem. 37(12): 1125-1132 (2016) - [j5]Yusuke Kanematsu, Masanori Tachikawa, Yu Takano:
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile. J. Comput. Chem. 37(23): 2140-2145 (2016) - 2015
- [j4]Ryuhei Harada, Tomotake Nakamura, Yu Takano, Yasuteru Shigeta:
Protein folding pathways extracted by OFLOOD: Outlier FLOODing method. J. Comput. Chem. 36(2): 97-102 (2015) - [j3]Ryuhei Harada, Yu Takano, Yasuteru Shigeta:
Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: Application to the folding of a mini-protein, chignolin. J. Comput. Chem. 36(10): 763-772 (2015) - 2011
- [j2]Jinzen Ikebe, Koji Umezawa, Narutoshi Kamiya, Takanori Sugihara, Yasushige Yonezawa, Yu Takano, Haruki Nakamura, Junichi Higo:
Theory for trivial trajectory parallelization of multicanonical molecular dynamics and application to a polypeptide in water. J. Comput. Chem. 32(7): 1286-1297 (2011) - 2010
- [j1]Yu Takano, Haruki Nakamura:
Electronic structures of heme a of cytochrome c oxidase in the redox states - Charge density migration to the propionate groups of heme a. J. Comput. Chem. 31(5): 954-962 (2010)
Coauthor Index
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