1. Assessment of semi-empirical molecular orbital calculations for describing magnetic interactions. (4th November 2017) Authors: Saito, Toru; Kitagawa, Yasutaka; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka; Takano, Yu Journal: Polyhedron Issue: Volume 136(2017) Page Start: 52 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Issue 1 (December 2017) Authors: Tosha, Takehiko; Nomura, Takashi; Nishida, Takuma; Saeki, Naoya; Okubayashi, Kouta; Yamagiwa, Raika; Sugahara, Michihiro; Nakane, Takanori; Yamashita, Keitaro; Hirata, Kunio; Ueno, Go; Kimura, Tetsunari; Hisano, Tamao; Muramoto, Kazumasa; Sawai, Hitomi; Takeda, Hanae; Mizohata, Eiichi; Yamashita,... Journal: Nature communications Issue: Volume 8:Issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Common folding processes of mini‐proteins: Partial formations of secondary structures initiate the immediate protein folding. Issue 11 (13th February 2017) Authors: Harada, Ryuhei; Takano, Yu; Shigeta, Yasuteru Journal: Journal of computational chemistry Issue: Volume 38:Issue 11(2017) Page Start: 790 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Density functional study of porphyrin distortion effects on redox potential of heme. Issue 3 (2nd September 2017) Authors: Imada, Yasuhiro; Nakamura, Haruki; Takano, Yu Journal: Journal of computational chemistry Issue: Volume 39:Issue 3(2018) Page Start: 143 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Development of massive multilevel molecular dynamics simulation program, platypus (PLATform for dYnamic protein unified simulation), for the elucidation of protein functions. Issue 12 (4th March 2016) Authors: Takano, Yu; Nakata, Kazuto; Yonezawa, Yasushige; Nakamura, Haruki Journal: Journal of computational chemistry Issue: Volume 37:Issue 12(2016) Page Start: 1125 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Development of serial X‐ray fluorescence holography for radiation‐sensitive protein crystals. (20th January 2023) Authors: Ang, Artoni Kevin R.; Umena, Yasufumi; Sato-Tomita, Ayana; Shibayama, Naoya; Happo, Naohisa; Marumi, Riho; Yamamoto, Yuta; Kimura, Koji; Kawamura, Naomi; Takano, Yu; Matsushita, Tomohiro; Sasaki, Yuji C.; Shen, Jian-Ren; Hayashi, Kouichi Journal: Journal of synchrotron radiation Issue: Volume 30:Part 2(2023) Page Start: 368 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: Application to the folding of a mini‐protein, chignolin. Issue 10 (18th February 2015) Authors: Harada, Ryuhei; Takano, Yu; Shigeta, Yasuteru Journal: Journal of computational chemistry Issue: Volume 36:Issue 10(2015) Page Start: 763 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Hydrogen bond donors and acceptors are generally depolarized in α‐helices as revealed by a molecular tailoring approach. Issue 23 (17th May 2019) Authors: Kondo, Hiroko X.; Kusaka, Ayumi; Kitakawa, Colin K.; Onari, Jinta; Yamanaka, Shusuke; Nakamura, Haruki; Takano, Yu Journal: Journal of computational chemistry Issue: Volume 40:Issue 23(2019) Page Start: 2043 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile. Issue 23 (27th June 2016) Authors: Kanematsu, Yusuke; Tachikawa, Masanori; Takano, Yu Journal: Journal of computational chemistry Issue: Volume 37:Issue 23(2016) Page Start: 2140 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Protein folding pathways extracted by OFLOOD: Outlier FLOODing method. Issue 2 (3rd November 2014) Authors: Harada, Ryuhei; Nakamura, Tomotake; Takano, Yu; Shigeta, Yasuteru Journal: Journal of computational chemistry Issue: Volume 36:Issue 2(2015) Page Start: 97 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗